200,000+ products from a single source!
sales@angenechem.com
2104989-86-6 | 2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetonitrile
CAS No: 2104989-86-6 Catalog No: AG01EJSE MDL No:MFCD31615956
Product Description
Catalog Number:
AG01EJSE
Chemical Name:
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetonitrile
CAS Number:
2104989-86-6
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD31615956
IUPAC Name:
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetonitrile
InChI:
InChI=1S/C10H12N2O/c1-7-12-10-8(5-6-11)3-2-4-9(10)13-7/h8H,2-5H2,1H3
InChI Key:
PLQUEAJMHWMBTG-UHFFFAOYSA-N
SMILES:
N#CCC1CCCc2c1nc(o2)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.