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17283-16-8,MFCD02664684
Catalog No.:AA003IFT
17283-16-8 | 3,4-Dimethylphenylacetic acid
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1g
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$53.00   $37.00
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5g
>97%
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$142.00   $99.00
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25g
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$484.00   $339.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IFT
Chemical Name:
3,4-Dimethylphenylacetic acid
CAS Number:
17283-16-8
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD02664684
IUPAC Name:
2-(3,4-dimethylphenyl)acetic acid
InChI:
InChI=1S/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
OTTPBKINJOYJGW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)C)C
NSC Number:
165781
Properties
Computed Properties
 
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3,4-Dimethylphenylacetic acid 
17283-16-8 
PubChem10440 
AC1L6PFM 
AC1Q2DUW 
SCHEMBL969589 
CTK4D4378 
DTXSID40304433 
Benzeneacetic acid,3,4-dimethyl- 
OTTPBKINJOYJGW-UHFFFAOYSA-N 
HMS1757O22 
ACT00756 
2-(3,4-dimethylphenyl)acetic acid 
KS-00000CU8 
ZINC1649047 
(3,4-Dimethylphenyl)acetic acid # 
ANW-53661 
BBL020407 
NSC165781 
SBB017956 
STK117450 
WT1661 
AKOS000295883 
3,4-Dimethylphenylaceticacid 
AM62268 
AS06102 
CM13697 
MCULE-3719890588 
NSC-165781 
TRA0036359 
AJ-28778 
AK-53965 
AS-18779 
SC-62157 
3,4-dimethyphenylacetic acid 
SY021853 
AB0022828 
PHENOL, 3,4-DIMETHYL-, 1-ACETATE 
ST2403862 
TR-045778 
17283-16-8 3,4-dimethyphenylacetic acid 
4CH-018294 
BB 0248966 
ST50329670 
W3768 
(3,4-Dimethyl-phenyl)-acetic acid 
X2164 
ACETIC ACID 3,4-DIMETHYL-PHENYL ESTER 
EN300-06309 
K-5303 
MFCD02664684 (97+%) 
J-010853 
3,4-Dimethylphenyl acetate 
C10H12O2 
CID296013 
22618-23-1 
(3,4-Dimethylphenyl)acetic acid 
110-71-4 
Benzeneacetic acid, 3,4-dimethyl- 
MFCD02664684 
3,4-Dimethylbenzenacetic acid 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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