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83250-96-8 | 2-Propenal, 3-[(4-nitrophenyl)amino]-
CAS No: 83250-96-8 Catalog No: AG0057HS MDL No:
Product Description
Catalog Number:
AG0057HS
Chemical Name:
2-Propenal, 3-[(4-nitrophenyl)amino]-
CAS Number:
83250-96-8
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
3-(4-nitroanilino)prop-2-enal
InChI:
InChI=1S/C9H8N2O3/c12-7-1-6-10-8-2-4-9(5-3-8)11(13)14/h1-7,10H
InChI Key:
MGNIZXONZPYUDN-UHFFFAOYSA-N
SMILES:
O=CC=CNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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