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Home > Nitro Compounds > 1504-63-8
1504-63-8 | 2-Propen-1-ol, 3-(4-nitrophenyl)-
CAS No: 1504-63-8 Catalog No: AG001MLT MDL No:MFCD00017045
Product Description
Catalog Number:
AG001MLT
Chemical Name:
2-Propen-1-ol, 3-(4-nitrophenyl)-
CAS Number:
1504-63-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00017045
IUPAC Name:
(E)-3-(4-nitrophenyl)prop-2-en-1-ol
InChI:
InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+
InChI Key:
LGXXEDSIJZHDBN-OWOJBTEDSA-N
SMILES:
OCC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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