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Home > Nitro Compounds > 89861-96-1
89861-96-1 | 2-Propenoic acid, 3-(6-methyl-5-nitro-2-pyridinyl)-, ethyl ester
CAS No: 89861-96-1 Catalog No: AG003XCB MDL No:
Product Description
Catalog Number:
AG003XCB
Chemical Name:
2-Propenoic acid, 3-(6-methyl-5-nitro-2-pyridinyl)-, ethyl ester
CAS Number:
89861-96-1
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
ethyl 3-(6-methyl-5-nitropyridin-2-yl)prop-2-enoate
InChI:
InChI=1S/C11H12N2O4/c1-3-17-11(14)7-5-9-4-6-10(13(15)16)8(2)12-9/h4-7H,3H2,1-2H3
InChI Key:
CXAIUCJKDPNDQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1C)C=CC(=O)OCC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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