Home Nitriles Benzonitrile, 3-(methoxymethyl)-

Benzonitrile, 3-(methoxymethyl)-

CAS No.:
1515-86-2
Catalog Number:
AG001NDI
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG001NDI
Chemical Name:
Benzonitrile, 3-(methoxymethyl)-
CAS Number:
1515-86-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD09938201
IUPAC Name:
3-(methoxymethyl)benzonitrile
InChI:
InChI=1S/C9H9NO/c1-11-7-9-4-2-3-8(5-9)6-10/h2-5H,7H2,1H3
InChI Key:
SMAUAOPCJDOPMU-UHFFFAOYSA-N
SMILES:
COCc1cccc(c1)C#N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties