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115324-57-7 | 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, methyl ester
CAS No: 115324-57-7 Catalog No: AG000GLJ MDL No:
Product Description
Catalog Number:
AG000GLJ
Chemical Name:
2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-, methyl ester
CAS Number:
115324-57-7
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
methyl 2-cyano-3-naphthalen-1-ylprop-2-enoate
InChI:
InChI=1S/C15H11NO2/c1-18-15(17)13(10-16)9-12-7-4-6-11-5-2-3-8-14(11)12/h2-9H,1H3
InChI Key:
SKXSARWCVFRQRV-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccc2c1cccc2)C(=O)OC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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