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Home > Nitro Compounds > 2017-89-2
2017-89-2 | 2-Propenoic acid, 2-cyano-3-(4-nitrophenyl)-, ethyl ester, (2E)-
CAS No: 2017-89-2 Catalog No: AG002DKV MDL No:MFCD00024795
Product Description
Catalog Number:
AG002DKV
Chemical Name:
2-Propenoic acid, 2-cyano-3-(4-nitrophenyl)-, ethyl ester, (2E)-
CAS Number:
2017-89-2
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD00024795
IUPAC Name:
ethyl (E)-2-cyano-3-(4-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H10N2O4/c1-2-18-12(15)10(8-13)7-9-3-5-11(6-4-9)14(16)17/h3-7H,2H2,1H3/b10-7+
InChI Key:
YVACJZRCOWZWPY-JXMROGBWSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)[N+](=O)[O-])/C#N
NSC Number:
637311
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.3
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