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42288-46-0 | 2-(3,5-Dimethylphenyl)acetic acid
CAS No: 42288-46-0 Catalog No: AG003IP4 MDL No:MFCD00082776
Product Description
Catalog Number:
AG003IP4
Chemical Name:
2-(3,5-Dimethylphenyl)acetic 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
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
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