Home Other Building Blocks methyl 2-cyano-2-hydroxyacetate

methyl 2-cyano-2-hydroxyacetate

CAS No.:
1495924-95-2
Catalog Number:
AG019SZB
Molecular Formula:
C4H5NO3
Molecular Weight:
115.0874
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Product Description
Catalog Number:
AG019SZB
Chemical Name:
methyl 2-cyano-2-hydroxyacetate
CAS Number:
1495924-95-2
Molecular Formula:
C4H5NO3
Molecular Weight:
115.0874
MDL Number:
MFCD21304958
IUPAC Name:
methyl 2-cyano-2-hydroxyacetate
InChI:
InChI=1S/C4H5NO3/c1-8-4(7)3(6)2-5/h3,6H,1H3
InChI Key:
OQYMSLUZKXXZOX-UHFFFAOYSA-N
SMILES:
COC(=O)C(C#N)O
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.027g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
115.088g/mol
Monoisotopic Mass:
115.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties