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Home > Nitro Compounds > 2899-90-3
2899-90-3 | 1-Pentanol, 2-nitro-
CAS No: 2899-90-3 Catalog No: AG002V4S MDL No:
Product Description
Catalog Number:
AG002V4S
Chemical Name:
1-Pentanol, 2-nitro-
CAS Number:
2899-90-3
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
IUPAC Name:
2-nitropentan-1-ol
InChI:
InChI=1S/C5H11NO3/c1-2-3-5(4-7)6(8)9/h5,7H,2-4H2,1H3
InChI Key:
OYHTVILGINELNJ-UHFFFAOYSA-N
SMILES:
CCCC([N+](=O)[O-])CO
Properties
Complexity:
88.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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