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Home > Nitro Compounds > 876592-11-9
876592-11-9 | 2-Propen-1-ol, 2-nitro-3-phenyl-, (2E)-
CAS No: 876592-11-9 Catalog No: AG004H8D MDL No:
Product Description
Catalog Number:
AG004H8D
Chemical Name:
2-Propen-1-ol, 2-nitro-3-phenyl-, (2E)-
CAS Number:
876592-11-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
2-nitro-3-phenylprop-2-en-1-ol
InChI:
InChI=1S/C9H9NO3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6,11H,7H2
InChI Key:
KMBICUOTOWQGIN-UHFFFAOYSA-N
SMILES:
OC/C(=C\c1ccccc1)/[N+](=O)[O-]
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
1.3
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