Name: Name:2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetonitrile
Brand: Angene
SKU: AG01EJSE
Rating: 90 (10 reviews)

2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetonitrile

CAS No.:

2104989-86-6

Catalog Number:

AG01EJSE

Molecular Formula:

C10H12N2O

Molecular Weight:

176.2151

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

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.219g/mol

Monoisotopic Mass:

176.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3