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Home > Nitro Compounds > 652997-67-6
652997-67-6 | (E)-Ethyl 3-(4-Cyano-2-Nitrophenyl)Acrylate
CAS No: 652997-67-6 Catalog No: AG019EKH MDL No:MFCD30185066
Product Description
Catalog Number:
AG019EKH
Chemical Name:
(E)-Ethyl 3-(4-Cyano-2-Nitrophenyl)Acrylate
CAS Number:
652997-67-6
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD30185066
IUPAC Name:
ethyl 3-(4-cyano-2-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H10N2O4/c1-2-18-12(15)6-5-10-4-3-9(8-13)7-11(10)14(16)17/h3-7H,2H2,1H3
InChI Key:
WMFKQJPKYJSLNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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