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100880-57-7 | 2-Propenamide, 2-cyano-3-(2-hydroxy-1-naphthalenyl)-N-methyl-
CAS No: 100880-57-7 Catalog No: AG00033E MDL No:
Product Description
Catalog Number:
AG00033E
Chemical Name:
2-Propenamide, 2-cyano-3-(2-hydroxy-1-naphthalenyl)-N-methyl-
CAS Number:
100880-57-7
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-methylprop-2-enamide
InChI:
InChI=1S/C15H12N2O2/c1-17-15(19)11(9-16)8-13-12-5-3-2-4-10(12)6-7-14(13)18/h2-8,18H,1H3,(H,17,19)
InChI Key:
PJGBKPXTYSYEQE-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c(O)ccc2c1cccc2)C(=O)NC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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