Home Other Building Blocks ethyl N-[(2Z)-2-cyano-2-(ethoxymethylidene)acetyl]carbamate

ethyl N-[(2Z)-2-cyano-2-(ethoxymethylidene)acetyl]carbamate

CAS No.:
186387-87-1
Catalog Number:
AG01B76T
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
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Product Description
Catalog Number:
AG01B76T
Chemical Name:
ethyl N-[(2Z)-2-cyano-2-(ethoxymethylidene)acetyl]carbamate
CAS Number:
186387-87-1
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD00210154
IUPAC Name:
ethyl N-(2-cyano-3-ethoxyprop-2-enoyl)carbamate
InChI:
InChI=1S/C9H12N2O4/c1-3-14-6-7(5-10)8(12)11-9(13)15-4-2/h6H,3-4H2,1-2H3,(H,11,12,13)
InChI Key:
JNZGHWBZWCEXEJ-UHFFFAOYSA-N
SMILES:
CCO/C=C(\C(=O)NC(=O)OCC)/C#N
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.6  
Properties