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15666-89-4 | 2-Propenoic acid, 2-cyano-, phenyl ester
CAS No: 15666-89-4 Catalog No: AG001OW5 MDL No:
Product Description
Catalog Number:
AG001OW5
Chemical Name:
2-Propenoic acid, 2-cyano-, phenyl ester
CAS Number:
15666-89-4
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
IUPAC Name:
phenyl 2-cyanoprop-2-enoate
InChI:
InChI=1S/C10H7NO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h2-6H,1H2
InChI Key:
IPDQIHIYQHAUCO-UHFFFAOYSA-N
SMILES:
N#CC(=C)C(=O)Oc1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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