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1261931-39-8 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-methoxy-
CAS No: 1261931-39-8 Catalog No: AG000S6C MDL No:MFCD18320284
Product Description
Catalog Number:
AG000S6C
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 5-methoxy-
CAS Number:
1261931-39-8
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
MDL Number:
MFCD18320284
IUPAC Name:
3-(4-carboxyphenyl)-5-methoxybenzoic acid
InChI:
InChI=1S/C15H12O5/c1-20-13-7-11(6-12(8-13)15(18)19)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
UAMLTJMFKRDNQB-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)c1ccc(cc1)C(=O)O)C(=O)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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