Name: Name:2H-1-Benzopyran-7-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-oxo-
Brand: Angene
SKU: AG000U4J
Rating: 90 (10 reviews)

2H-1-Benzopyran-7-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-oxo-

CAS No.:

130200-02-1

Catalog Number:

AG000U4J

Molecular Formula:

C12H11NO2

Molecular Weight:

201.2212

Catalog Number:

AG000U4J

Chemical Name:

2H-1-Benzopyran-7-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-oxo-

CAS Number:

130200-02-1

Molecular Formula:

C12H11NO2

Molecular Weight:

201.2212

MDL Number:

MFCD15527100

IUPAC Name:

2,2-dimethyl-4-oxo-3H-chromene-7-carbonitrile

InChI:

InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-4-3-8(7-13)5-11(9)15-12/h3-5H,6H2,1-2H3

InChI Key:

CDRFBUBCMVKJFC-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)OC(CC2=O)(C)C

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.225g/mol

Monoisotopic Mass:

201.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7