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19111-77-4 | Benzonitrile, 4-methoxy-2,6-dimethyl-
CAS No: 19111-77-4 Catalog No: AG002F2C MDL No:
Product Description
Catalog Number:
AG002F2C
Chemical Name:
Benzonitrile, 4-methoxy-2,6-dimethyl-
CAS Number:
19111-77-4
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
4-methoxy-2,6-dimethylbenzonitrile
InChI:
InChI=1S/C10H11NO/c1-7-4-9(12-3)5-8(2)10(7)6-11/h4-5H,1-3H3
InChI Key:
AEELMOMIPWVYTA-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)C#N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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