Home Nitriles 2-(hydroxymethyl)prop-2-enenitrile

2-(hydroxymethyl)prop-2-enenitrile

CAS No.:
23873-54-3
Catalog Number:
AG00K5W8
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
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Product Description
Catalog Number:
AG00K5W8
Chemical Name:
2-(hydroxymethyl)prop-2-enenitrile
CAS Number:
23873-54-3
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD30334603
IUPAC Name:
2-(hydroxymethyl)prop-2-enenitrile
InChI:
InChI=1S/C4H5NO/c1-4(2-5)3-6/h6H,1,3H2
InChI Key:
QQCSUIMCEIRRKH-UHFFFAOYSA-N
SMILES:
OCC(=C)C#N
Properties
Complexity:
97.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
83.09g/mol
Monoisotopic Mass:
83.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties