Home Nitriles Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)

Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)

CAS No.:
227094-07-7
Catalog Number:
AG00BG4W
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00BG4W
Chemical Name:
Benzonitrile, 4-(hydroxymethyl)-3-methyl- (9CI)
CAS Number:
227094-07-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18394344
IUPAC Name:
4-(hydroxymethyl)-3-methylbenzonitrile
InChI:
InChI=1S/C9H9NO/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4,11H,6H2,1H3
InChI Key:
FWFZOFOJIGRTLM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)CO
Properties
Complexity:
170  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties