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1365272-23-6 | [1,1'-Biphenyl]-3-acetic acid, 3'-carboxy-
CAS No: 1365272-23-6 Catalog No: AG0011ZC MDL No:MFCD21609594
Product Description
Catalog Number:
AG0011ZC
Chemical Name:
[1,1'-Biphenyl]-3-acetic acid, 3'-carboxy-
CAS Number:
1365272-23-6
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD21609594
IUPAC Name:
3-[3-(carboxymethyl)phenyl]benzoic acid
InChI:
InChI=1S/C15H12O4/c16-14(17)8-10-3-1-4-11(7-10)12-5-2-6-13(9-12)15(18)19/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChI Key:
VRQGZJATEFPTFZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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