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85238-61-5 | 2-Propenoic acid, 3-phenyl-, 4-formylphenyl ester
CAS No: 85238-61-5 Catalog No: AG004V81 MDL No:
Product Description
Catalog Number:
AG004V81
Chemical Name:
2-Propenoic acid, 3-phenyl-, 4-formylphenyl ester
CAS Number:
85238-61-5
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
(4-formylphenyl) 3-phenylprop-2-enoate
InChI:
InChI=1S/C16H12O3/c17-12-14-6-9-15(10-7-14)19-16(18)11-8-13-4-2-1-3-5-13/h1-12H
InChI Key:
ASHIAZHAFARVET-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(=O)C=Cc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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