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1261939-24-5 | [1,1'-Biphenyl]-3-carboxylic acid, 4',5-dimethoxy-
CAS No: 1261939-24-5 Catalog No: AG000S78 MDL No:MFCD18319525
Product Description
Catalog Number:
AG000S78
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4',5-dimethoxy-
CAS Number:
1261939-24-5
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD18319525
IUPAC Name:
3-methoxy-5-(4-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-13-5-3-10(4-6-13)11-7-12(15(16)17)9-14(8-11)19-2/h3-9H,1-2H3,(H,16,17)
InChI Key:
PXRYRZHZSBVKEV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(OC)cc(c1)C(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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