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205871-49-4 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-formyl-
CAS No: 205871-49-4 Catalog No: AG002AE2 MDL No:MFCD03424615
Product Description
Catalog Number:
AG002AE2
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-formyl-
CAS Number:
205871-49-4
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD03424615
IUPAC Name:
4-(2-formylphenyl)benzoic acid
InChI:
InChI=1S/C14H10O3/c15-9-12-3-1-2-4-13(12)10-5-7-11(8-6-10)14(16)17/h1-9H,(H,16,17)
InChI Key:
WCKIOKGQNVOJGT-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1ccc(cc1)C(=O)O
Properties
Complexity:
279
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:
2.8
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