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Home > Nitro Compounds > 169139-89-3
169139-89-3 | 2-Propanol, 1-nitro-3-(phenylmethoxy)-
CAS No: 169139-89-3 Catalog No: AG001YI8 MDL No:
Product Description
Catalog Number:
AG001YI8
Chemical Name:
2-Propanol, 1-nitro-3-(phenylmethoxy)-
CAS Number:
169139-89-3
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
1-nitro-3-phenylmethoxypropan-2-ol
InChI:
InChI=1S/C10H13NO4/c12-10(6-11(13)14)8-15-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChI Key:
JYXVKJIVKBUFGF-UHFFFAOYSA-N
SMILES:
OC(C[N+](=O)[O-])COCc1ccccc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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