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1261905-12-7 | [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5-methoxy-
CAS No: 1261905-12-7 Catalog No: AG000S5I MDL No:MFCD18320257
Product Description
Catalog Number:
AG000S5I
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5-methoxy-
CAS Number:
1261905-12-7
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
MDL Number:
MFCD18320257
IUPAC Name:
3-(3-carboxyphenyl)-5-methoxybenzoic acid
InChI:
InChI=1S/C15H12O5/c1-20-13-7-11(6-12(8-13)15(18)19)9-3-2-4-10(5-9)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
WOAOXICMCNRNIG-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)c1cccc(c1)C(=O)O
Properties
Complexity:
367
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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