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Home > Nitro Compounds > 116204-36-5
116204-36-5 | 2-Propenal, 2-hydroxy-3-(4-nitrophenyl)-, (Z)- (9CI)
CAS No: 116204-36-5 Catalog No: AG000BWG MDL No:
Product Description
Catalog Number:
AG000BWG
Chemical Name:
2-Propenal, 2-hydroxy-3-(4-nitrophenyl)-, (Z)- (9CI)
CAS Number:
116204-36-5
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
2-hydroxy-3-(4-nitrophenyl)prop-2-enal
InChI:
InChI=1S/C9H7NO4/c11-6-9(12)5-7-1-3-8(4-2-7)10(13)14/h1-6,12H
InChI Key:
VKDMHVGBEQABHB-UHFFFAOYSA-N
SMILES:
O=C/C(=C/c1ccc(cc1)[N+](=O)[O-])/O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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