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1215206-74-8 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-ethyl-
CAS No: 1215206-74-8 Catalog No: AG00158B MDL No:MFCD15143487
Product Description
Catalog Number:
AG00158B
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-ethyl-
CAS Number:
1215206-74-8
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD15143487
IUPAC Name:
3-(3-ethylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2/c1-2-11-5-3-6-12(9-11)13-7-4-8-14(10-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)
InChI Key:
GPPCSEBXFMEWTB-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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