Home Other Building Blocks methyl 2-cyano-3-formylbenzoate

methyl 2-cyano-3-formylbenzoate

CAS No.:
2059971-59-2
Catalog Number:
AG01C01X
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
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Product Description
Catalog Number:
AG01C01X
Chemical Name:
methyl 2-cyano-3-formylbenzoate
CAS Number:
2059971-59-2
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD30497779
IUPAC Name:
methyl 2-cyano-3-formylbenzoate
InChI:
InChI=1S/C10H7NO3/c1-14-10(13)8-4-2-3-7(6-12)9(8)5-11/h2-4,6H,1H3
InChI Key:
GMNWSSAQOJSJKH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C#N)C=O
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties