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2-Nitro-3-pentanol

CAT: 0572-TRC-N496910-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N496910-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20575-40-0
Hazard Statement
No Data Available
Smiles
CCC(O)C(C)[N+](=O)[O-]
Molecular Formula
C5 H11 N O3
Molecular Weight
133.15
InChI
InChI=1S/C5H11NO3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3
Additionnal Information
IUPAC name: 2-nitropentan-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Nitro-3-pentanol
CAS Number20575-40-0
PubChem CID226821
IUPAC Name2-nitropentan-3-ol
Molecular FormulaC5H11NO3
Molecular Weight133.15
XLogP0.7
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity98
SMILES
CCC(C(C)[N+](=O)[O-])O
InChI
InChI=1S/C5H11NO3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3
InChIKey
UQCZRXRWSNMZEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitro-3-pentanol
CAS: 20575-40-0
CID: 226821
Formula: C5H11NO3
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass133.07389321
Monoisotopic Mass133.07389321
Topological Polar Surface Area66.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
285185-012-Nitro-3-pentanol
OR1023685-013-Methyl-2-Pentanol
sc-2305182-Methyl-3-pentanol
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sc-2308442,3-Dimethyl-3-pentanol
sc-2307072,2-Dimethyl-3-pentanol
sc-238190(±) -2-Pentanol
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E13605-013-Ethyl-2-pentanol 98%
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