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251570-82-8 | 2-Propenoic acid, 3-[4-(1-oxo-2-phenyl-2-propen-1-yl)phenyl]-
CAS No: 251570-82-8 Catalog No: AG002QO3 MDL No:
Product Description
Catalog Number:
AG002QO3
Chemical Name:
2-Propenoic acid, 3-[4-(1-oxo-2-phenyl-2-propen-1-yl)phenyl]-
CAS Number:
251570-82-8
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C18H14O3/c1-13(15-5-3-2-4-6-15)18(21)16-10-7-14(8-11-16)9-12-17(19)20/h2-12H,1H2,(H,19,20)
InChI Key:
KCQLGLQQAZLWTF-UHFFFAOYSA-N
SMILES:
O=C(C(=C)c1ccccc1)c1ccc(cc1)C=CC(=O)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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