200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 71172-63-9
71172-63-9 | GAMMA-METHOXYBENZENEBUTYRONITRILE
CAS No: 71172-63-9 Catalog No: AG005X2N MDL No:MFCD00019887
Product Description
Catalog Number:
AG005X2N
Chemical Name:
GAMMA-METHOXYBENZENEBUTYRONITRILE
CAS Number:
71172-63-9
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00019887
IUPAC Name:
4-methoxy-4-phenylbutanenitrile
InChI:
InChI=1S/C11H13NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8H2,1H3
InChI Key:
NBSOTRJRBXRKLZ-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)CCC#N
EC Number:
275-236-2
NSC Number:
66264
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.