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1215206-70-4 | [1,1'-Biphenyl]-3-carboxylic acid, 2',3'-dimethoxy-
CAS No: 1215206-70-4 Catalog No: AG00157A MDL No:
Product Description
Catalog Number:
AG00157A
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2',3'-dimethoxy-
CAS Number:
1215206-70-4
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
3-(2,3-dimethoxyphenyl)benzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-13-8-4-7-12(14(13)19-2)10-5-3-6-11(9-10)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:
NKISLNKGAFKKHD-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1c1cccc(c1)C(=O)O
Properties
Complexity:
305
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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