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90921-71-4 | Benzonitrile, 4-(dimethoxymethyl)-
CAS No: 90921-71-4 Catalog No: AG006GFG MDL No:
Product Description
Catalog Number:
AG006GFG
Chemical Name:
Benzonitrile, 4-(dimethoxymethyl)-
CAS Number:
90921-71-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
4-(dimethoxymethyl)benzonitrile
InChI:
InChI=1S/C10H11NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,1-2H3
InChI Key:
KAIKLOZUJNGBNP-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)C#N)OC
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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