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1261910-15-9 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 2'-methyl-
CAS No: 1261910-15-9 Catalog No: AG000S59 MDL No:MFCD18320242
Product Description
Catalog Number:
AG000S59
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 2'-methyl-
CAS Number:
1261910-15-9
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD18320242
IUPAC Name:
4-(3-carboxyphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C15H12O4/c1-9-7-12(15(18)19)5-6-13(9)10-3-2-4-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
CXYZKFMQBLJPQG-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1c1cccc(c1)C(=O)O)C(=O)O
Properties
Complexity:
352
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:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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