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15144-81-7 | [1,1'-Biphenyl]-2-carboxylic acid, 5-methoxy-
CAS No: 15144-81-7 Catalog No: AG001NCB MDL No:
Product Description
Catalog Number:
AG001NCB
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 5-methoxy-
CAS Number:
15144-81-7
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
4-methoxy-2-phenylbenzoic acid
InChI:
InChI=1S/C14H12O3/c1-17-11-7-8-12(14(15)16)13(9-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
InChI Key:
ILMBLFOACOFDEV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1ccccc1)C(=O)O
NSC Number:
171437
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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