Home Other Building Blocks 2,3,4-TRIMETHOXYPHENYLACETONITRILE

2,3,4-TRIMETHOXYPHENYLACETONITRILE

CAS No.:
68913-85-9
Catalog Number:
AG00FALP
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG00FALP
Chemical Name:
2,3,4-TRIMETHOXYPHENYLACETONITRILE
CAS Number:
68913-85-9
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00060292
IUPAC Name:
2-(2,3,4-trimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C11H13NO3/c1-13-9-5-4-8(6-7-12)10(14-2)11(9)15-3/h4-5H,6H2,1-3H3
InChI Key:
RZVUKELRMABJPI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1OC)OC)OC
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties