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142254-20-4 | Carbamic acid, N-(cyanomethyl)-, methyl ester
CAS No: 142254-20-4 Catalog No: AG001I2A MDL No:
Product Description
Catalog Number:
AG001I2A
Chemical Name:
Carbamic acid, N-(cyanomethyl)-, methyl ester
CAS Number:
142254-20-4
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1026
IUPAC Name:
methyl N-(cyanomethyl)carbamate
InChI:
InChI=1S/C4H6N2O2/c1-8-4(7)6-3-2-5/h3H2,1H3,(H,6,7)
InChI Key:
DRMGMMWXWKLKAI-UHFFFAOYSA-N
SMILES:
COC(=O)NCC#N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.104g/mol
Monoisotopic Mass:
114.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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