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7398-52-9 | 2-(4-Acetylphenyl)acetic acid
CAS No: 7398-52-9 Catalog No: AG005IQ9 MDL No:MFCD00021760
Product Description
Catalog Number:
AG005IQ9
Chemical Name:
2-(4-Acetylphenyl)acetic acid
CAS Number:
7398-52-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00021760
IUPAC Name:
2-(4-acetylphenyl)acetic acid
InChI:
InChI=1S/C10H10O3/c1-7(11)9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
DQGDHZGCMKDNRW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)C(=O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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