Name: Name:3-Methoxy-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Brand: Angene
SKU: AG00HSZN
Rating: 90 (10 reviews)

3-Methoxy-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

CAS No.:

1337839-72-1

Catalog Number:

AG00HSZN

Molecular Formula:

C12H11NO2

Molecular Weight:

201.2212

Catalog Number:

AG00HSZN

Chemical Name:

3-Methoxy-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

CAS Number:

1337839-72-1

Molecular Formula:

C12H11NO2

Molecular Weight:

201.2212

MDL Number:

MFCD20462396

IUPAC Name:

3-methoxy-5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile

InChI:

InChI=1S/C12H11NO2/c1-15-12-6-10-8(5-9(12)7-13)3-2-4-11(10)14/h5-6H,2-4H2,1H3

InChI Key:

HREDCXDGJJPZEW-UHFFFAOYSA-N

SMILES:

COc1cc2C(=O)CCCc2cc1C#N

Complexity:

304

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