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100538-35-0 | [1,1'-Biphenyl]-2-carboxylic acid, 3'-formyl-
CAS No: 100538-35-0 Catalog No: AG0002AE MDL No:MFCD04039067
Product Description
Catalog Number:
AG0002AE
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3'-formyl-
CAS Number:
100538-35-0
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD04039067
IUPAC Name:
2-(3-formylphenyl)benzoic acid
InChI:
InChI=1S/C14H10O3/c15-9-10-4-3-5-11(8-10)12-6-1-2-7-13(12)14(16)17/h1-9H,(H,16,17)
InChI Key:
ZNULJIUYCWDSRX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccccc1C(=O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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