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Home > Nitro Compounds > 1426293-57-3
1426293-57-3 | 1-[(2E)-3-(3-Nitrophenyl)prop-2-enoyl]pyrrolidine
CAS No: 1426293-57-3 Catalog No: AG00HWJ7 MDL No:MFCD00439107
Product Description
Catalog Number:
AG00HWJ7
Chemical Name:
1-[(2E)-3-(3-Nitrophenyl)prop-2-enoyl]pyrrolidine
CAS Number:
1426293-57-3
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD00439107
IUPAC Name:
(E)-3-(3-nitrophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C13H14N2O3/c16-13(14-8-1-2-9-14)7-6-11-4-3-5-12(10-11)15(17)18/h3-7,10H,1-2,8-9H2/b7-6+
InChI Key:
PNYIMHVLTKZLCN-VOTSOKGWSA-N
SMILES:
O=C(N1CCCC1)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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