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499-06-9,MFCD00002525
Catalog No.:AA003IM1
499-06-9 | 3,5-Dimethylbenzoic acid
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10g
95%
in stock  
$8.00   $5.00
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25g
95%
in stock  
$12.00   $8.00
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500g
98%
in stock  
$215.00   $150.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IM1
Chemical Name:
3,5-Dimethylbenzoic acid
CAS Number:
499-06-9
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00002525
IUPAC Name:
3,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
UMVOQQDNEYOJOK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)cc(c1)C
EC Number:
207-876-5
UNII:
ED8AV34N0Y
NSC Number:
37562
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3,5-dimethylbenzoate 
3,5-dimethylbenzoic acid 
NSC 37562 
BRN 1072182 
ED8AV34N0Y 
CHEMBL118239 
CHEBI:64821 
3,5-Dimethylbenzoic acid, 99% 
UMVOQQDNEYOJOK-UHFFFAOYSA-N 
MFCD00002525 
3,5-Dimethylbenzoicacid 
sym.-m-Xylylic acid 
3,5-DIMETHYLBENZOIC ACID 
PubChem15440 
3,5-Dimethylbezoic acid 
3,5 Dimethylbenzoic acid 
ACMC-1CU6S 
AC1L1V0Z 
AC1Q2I9J 
m-Xylene-5-carboxylic Acid 
4-09-00-01806 (Beilstein Handbook Reference) 
KSC235O6F 
SCHEMBL221684 
499-06-9 
DTXSID4060101 
CTK1D5762 
KS-00000CMJ 
ZINC330139 
NSC37562 
STR01989 
ANW-30870 
BDBM50405323 
NSC-37562 
SBB064102 
Mesitylenic acid 
STL164368 
AKOS000119565 
AB00235 
CM12703 
CS-W019514 
FS-2204 
MCULE-8058685171 
RP21365 
RTR-017890 
TRA0042234 
Benzoic acid, 3,5-dimethyl- 
AC-10405 
AJ-19291 
AK-45888 
AN-45343 
BP-12851 
BR-45888 
LS-37161 
SC-18584 
SY012192 
TL806253 
UNII-ED8AV34N0Y 
DB-030897 
ST2417309 
TR-017890 
AM20060638 
D0684 
FT-0602342 
ST50308234 
AZ0001-0141 
99D069 
Q-7434 
3,5-Dimethyl benzoic acid 
MFCD00002525 (97+%) 
AB-131/40207591 
I01-4005 
3,5-Dimethylbenzoic acid, purum, >=97.0% (HPLC) 
F2191-0064 
Z1258992438 
InChI=1/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11 
Benzoic acid,5-dimethyl- 
2-Chloro-5-fluoropyridine 
2-(3,5-dimethylphenyl)acetic acid 
3,5-Dimethyl-benzoic acid 
C9H10O2 
CID10356 
C9-H10-O2 
ACN-050039 
D-5000 
Benzoic acid, 3,5-dimethyl- (7CI,8CI,9CI) 
3,5-Dimethylbenzoic acid, 98% - 100G 100g 
42288-46-0 
31301-51-6 
EINECS 207-876-5 
Literature

Title: [rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3-methyl-benzoate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: [rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3,5-dimethyl-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: Regulated ethylene insensitivity through the inducible expression of the Arabidopsis etr1-1 mutant ethylene receptor in tomato.

Journal: Plant physiology 20100401

Title: 3-tert-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl 3,5-dimethyl-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Toward a magnetostructural correlation for a family of Mn6 SMMs.

Journal: Journal of the American Chemical Society 20071017

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