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Home > Nitro Compounds > 147329-16-6
147329-16-6 | 2-Propanol, 1-(1-naphthalenyloxy)-3-nitro-, (2S)-
CAS No: 147329-16-6 Catalog No: AG001ESO MDL No:
Product Description
Catalog Number:
AG001ESO
Chemical Name:
2-Propanol, 1-(1-naphthalenyloxy)-3-nitro-, (2S)-
CAS Number:
147329-16-6
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
(2S)-1-naphthalen-1-yloxy-3-nitropropan-2-ol
InChI:
InChI=1S/C13H13NO4/c15-11(8-14(16)17)9-18-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2/t11-/m0/s1
InChI Key:
HVNCHUUXLYPUCM-NSHDSACASA-N
SMILES:
O[C@@H](C[N+](=O)[O-])COc1cccc2c1cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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