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42288-46-0,MFCD00082776
Catalog No.:AA003IMC
42288-46-0 | 3,5-Dimethylphenylacetic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$58.00   $40.00
- +
5g
98%
in stock  
$165.00   $115.00
- +
25g
98%
in stock  
$794.00   $556.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IMC
Chemical Name:
3,5-Dimethylphenylacetic acid
CAS Number:
42288-46-0
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00082776
IUPAC Name:
2-(3,5-dimethylphenyl)acetic acid
InChI:
InChI=1S/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
HDNBKTWQBJJYPD-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(C)cc(c1)C
Properties
Computed Properties
 
Complexity:
155  
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:
2.1  

Synonyms
 
3,5-DIMETHYLPHENYLACETIC ACID 
42288-46-0 
AC1Q2IK6 
KSC238Q4H 
SCHEMBL593771 
3,5-Dimethylbenzeneacetic acid 
3,5-Dimethylphenyl Acetic Acid 
CTK1D8843 
A4103/0174929 
DTXSID70406313 
(3,5-dimethyl-phenyl)-acetic acid 
ALBB-014193 
2-(3,5-dimethylphenyl)acetic acid 
KS-000010FW 
ZINC2572191 
SBB043953 
STK661461 
AKOS000274304 
AB03133 
AS06103 
CM13698 
MCULE-7232746562 
RTR-016586 
(3,5-dimethylphenyl)acetic acid 
TRA0018385 
VZ25848 
AJ-41979 
AS-45863 
BP-12636 
SC-73576 
3,5-dimethylphenylacetic acid, AldrichCPR 
AB0065780 
DB-050890 
ST4130395 
Benzeneacetic acid, 3,5-dimethyl- 
TR-016586 
FT-0614700 
R1995 
ST24039256 
288D460 
AE-562/43359417 
I01-5990 
F1983-0024 
Z274447882 
3,5-Dimethylphenylaceticacid 
(3,5-XYLYL)ACETIC ACID 
CID4749495 
105337-18-6 
110-91-8 
HDNBKTWQBJJYPD-UHFFFAOYSA-N 
MFCD00082776 
ACMC-20anc9 
AC1NI2ZB 
Literature
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