Home Other Building Blocks methyl 4-(cyanocarbamoyl)benzoate

methyl 4-(cyanocarbamoyl)benzoate

CAS No.:
2044713-02-0
Catalog Number:
AG01BVEW
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
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Product Description
Catalog Number:
AG01BVEW
Chemical Name:
methyl 4-(cyanocarbamoyl)benzoate
CAS Number:
2044713-02-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD30476370
IUPAC Name:
methyl 4-(cyanocarbamoyl)benzoate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)8-4-2-7(3-5-8)9(13)12-6-11/h2-5H,1H3,(H,12,13)
InChI Key:
DGLLBLHOMFWDKW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)NC#N
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties