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100753-38-6 | Carbamic acid, cyano-, methyl ester, dimer (9CI)
CAS No: 100753-38-6 Catalog No: AG0002T2 MDL No:
Product Description
Catalog Number:
AG0002T2
Chemical Name:
Carbamic acid, cyano-, methyl ester, dimer (9CI)
CAS Number:
100753-38-6
Molecular Formula:
C3H4N2O2
Molecular Weight:
100.0761
IUPAC Name:
methyl N-cyanocarbamate
InChI:
InChI=1S/C3H4N2O2/c1-7-3(6)5-2-4/h1H3,(H,5,6)
InChI Key:
ZSYJMXLJNPEAGP-UHFFFAOYSA-N
SMILES:
COC(=O)NC#N
EC Number:
244-548-0
UNII:
ZTT2HH0P0A
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.027g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.077g/mol
Monoisotopic Mass:
100.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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