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114314-07-7 | Acetamide, 2-cyano-N-(cyanomethyl)-2-(methoxyimino)-N-methyl-, (E)- (9CI)
CAS No: 114314-07-7 Catalog No: AG000B1Z MDL No:
Product Description
Catalog Number:
AG000B1Z
Chemical Name:
Acetamide, 2-cyano-N-(cyanomethyl)-2-(methoxyimino)-N-methyl-, (E)- (9CI)
CAS Number:
114314-07-7
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
2-[cyanomethyl(methyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C7H8N4O2/c1-11(4-3-8)7(12)6(5-9)10-13-2/h4H2,1-2H3
InChI Key:
LKZHCGARVWEMLK-UHFFFAOYSA-N
SMILES:
CN(C(=O)/C(=N/OC)/C#N)CC#N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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