Home Nitriles 4-Methoxy-2,5-dimethylbenzonitrile

4-Methoxy-2,5-dimethylbenzonitrile

CAS No.:
64400-49-3
Catalog Number:
AG00EV3X
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$866
- +
5g
1 week
United States
$2181
- +
10g
1 week
United States
$2794
- +
25g
1 week
United States
$6238
- +
Product Description
Catalog Number:
AG00EV3X
Chemical Name:
4-Methoxy-2,5-dimethylbenzonitrile
CAS Number:
64400-49-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00053416
IUPAC Name:
4-methoxy-2,5-dimethylbenzonitrile
InChI:
InChI=1S/C10H11NO/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-5H,1-3H3
InChI Key:
ZYHLPXFNLCESEI-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C)C#N
Properties
Complexity:
193  
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  
Properties