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2-Hydroxypropanenitrile

CAT: 0926-FH135171-01Size: 10 mLDry Ice: NoHazardous: No
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CAT#:0926-FH135171-01Size:10 mL
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CAS Number
78-97-7
Synonyms
DL-Lactonitrile
MDL Number
MFCD00004507
Smiles
CC (C#N) O
Molecular Formula
C3H5NO
Molecular Weight
71.08 g/mol
Controlled
No

Chemical Information

Lactonitrile

Straw colored liquid. Used as a solvent /intermediate in production of ethyl lactate and lactic acid. (EPA, 1998)

CAS Number78-97-7
PubChem CID6572
IUPAC Name2-hydroxypropanenitrile
Molecular FormulaC3H5NO
Molecular Weight71.08
XLogP-0.3
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity60
SMILES
CC(C#N)O
InChI
InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
InChIKey
WOFDVDFSGLBFAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lactonitrile
CAS: 78-97-7
CID: 6572
Formula: C3H5NO
MW: 71.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight71.08
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass71.037113783
Monoisotopic Mass71.037113783
Topological Polar Surface Area44 Ų
Heavy Atom Count5
Formal Charge0
Complexity60.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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