Name: Name:2-Propenoic acid, 2-cyano-3-(3-nitrophenyl)-, ethyl ester
Brand: Angene
SKU: AG002I5D
Rating: 90 (10 reviews)

2-Propenoic acid, 2-cyano-3-(3-nitrophenyl)-, ethyl ester

CAS No.:

18925-00-3

Catalog Number:

AG002I5D

Molecular Formula:

C12H10N2O4

Molecular Weight:

246.2188

Catalog Number:

AG002I5D

Chemical Name:

2-Propenoic acid, 2-cyano-3-(3-nitrophenyl)-, ethyl ester

CAS Number:

18925-00-3

Molecular Formula:

C12H10N2O4

Molecular Weight:

246.2188

MDL Number:

MFCD00024568

IUPAC Name:

ethyl 2-cyano-3-(3-nitrophenyl)prop-2-enoate

InChI:

InChI=1S/C12H10N2O4/c1-2-18-12(15)10(8-13)6-9-4-3-5-11(7-9)14(16)17/h3-7H,2H2,1H3

InChI Key:

BUEJQBJZGAURKT-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])C#N

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.222g/mol

Monoisotopic Mass:

246.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2