Home Other Building Blocks methyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate

methyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate

CAS No.:
98466-44-5
Catalog Number:
AG01BB8I
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
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Product Description
Catalog Number:
AG01BB8I
Chemical Name:
methyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate
CAS Number:
98466-44-5
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD19322173
IUPAC Name:
methyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate
InChI:
InChI=1S/C12H13NO4/c1-15-10-5-4-8(6-11(10)16-2)9(7-13)12(14)17-3/h4-6,9H,1-3H3
InChI Key:
DUGGTIYZQSBNOY-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)OC)OC)C#N
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties