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91134-18-8 | (3,4,5-TRIMETHOXYPHENYL)GLYCOLONITRILE
CAS No: 91134-18-8 Catalog No: AG006QO2 MDL No:
Product Description
Catalog Number:
AG006QO2
Chemical Name:
(3,4,5-TRIMETHOXYPHENYL)GLYCOLONITRILE
CAS Number:
91134-18-8
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
2-hydroxy-2-(3,4,5-trimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C11H13NO4/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8,13H,1-3H3
InChI Key:
OXSJBPBUDGORCM-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(OC)c(c(c1)OC)OC)O
EC Number:
293-815-8
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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