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Home > Nitro Compounds > 68792-18-7
68792-18-7 | 2-Propenoic acid, 2-cyano-3-(2-nitrophenyl)-, ethyl ester, (E)-
CAS No: 68792-18-7 Catalog No: AG005O00 MDL No:MFCD00713510
Product Description
Catalog Number:
AG005O00
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-nitrophenyl)-, ethyl ester, (E)-
CAS Number:
68792-18-7
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD00713510
IUPAC Name:
ethyl 2-cyano-3-(2-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H10N2O4/c1-2-18-12(15)10(8-13)7-9-5-3-4-6-11(9)14(16)17/h3-7H,2H2,1H3
InChI Key:
CZPQZBRWWGSHSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccccc1[N+](=O)[O-])/C#N
Properties
Complexity:
402
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
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