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1515-85-1 | Benzonitrile, 4-(methoxymethyl)-
CAS No: 1515-85-1 Catalog No: AG001NDJ MDL No:MFCD09937189
Product Description
Catalog Number:
AG001NDJ
Chemical Name:
Benzonitrile, 4-(methoxymethyl)-
CAS Number:
1515-85-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD09937189
IUPAC Name:
4-(methoxymethyl)benzonitrile
InChI:
InChI=1S/C9H9NO/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3
InChI Key:
RUWUCOYLNIGKRD-UHFFFAOYSA-N
SMILES:
COCc1ccc(cc1)C#N
Properties
Complexity:
150
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:
1.3
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