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1261903-47-2 | [1,1'-Biphenyl]-3-carboxylic acid, 5-hydroxy-3'-methoxy-
CAS No: 1261903-47-2 Catalog No: AG000S4A MDL No:MFCD18319499
Product Description
Catalog Number:
AG000S4A
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-hydroxy-3'-methoxy-
CAS Number:
1261903-47-2
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
MDL Number:
MFCD18319499
IUPAC Name:
3-hydroxy-5-(3-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H12O4/c1-18-13-4-2-3-9(8-13)10-5-11(14(16)17)7-12(15)6-10/h2-8,15H,1H3,(H,16,17)
InChI Key:
BSODLKVIIUWBAJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(O)cc(c1)C(=O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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