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13041-75-3 | Benzoic acid, 4-[(1E)-2-phenylethenyl]-
CAS No: 13041-75-3 Catalog No: AG000UEF MDL No:
Product Description
Catalog Number:
AG000UEF
Chemical Name:
Benzoic acid, 4-[(1E)-2-phenylethenyl]-
CAS Number:
13041-75-3
Molecular Formula:
C15H12O2
Molecular Weight:
224.2546
IUPAC Name:
4-(2-phenylethenyl)benzoic acid
InChI:
InChI=1S/C15H12O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,16,17)
InChI Key:
IAGXTPCOGVFRSQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)/C=C/c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.259g/mol
Monoisotopic Mass:
224.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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