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893736-81-7 | 3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid
CAS No: 893736-81-7 Catalog No: AG003WGH MDL No:MFCD06802576
Product Description
Catalog Number:
AG003WGH
Chemical Name:
3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid
CAS Number:
893736-81-7
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD06802576
IUPAC Name:
3-(3-methoxycarbonylphenyl)benzoic acid
InChI:
InChI=1S/C15H12O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9H,1H3,(H,16,17)
InChI Key:
CJWQBLCGSMIQJV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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