Name: Name:2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile
Brand: Angene
SKU: AG01EJXW
Rating: 90 (10 reviews)

2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile

CAS No.:

169777-55-3

Catalog Number:

AG01EJXW

Molecular Formula:

C10H7NO3

Molecular Weight:

189.1675

Catalog Number:

AG01EJXW

Chemical Name:

2,5-dioxo-5,6,7,8-tetrahydro-2H-chromene-3-carbonitrile

CAS Number:

169777-55-3

Molecular Formula:

C10H7NO3

Molecular Weight:

189.1675

MDL Number:

MFCD27945961

IUPAC Name:

2,5-dioxo-7,8-dihydro-6H-chromene-3-carbonitrile

InChI:

InChI=1S/C10H7NO3/c11-5-6-4-7-8(12)2-1-3-9(7)14-10(6)13/h4H,1-3H2

InChI Key:

AOOPGVASYVXMMV-UHFFFAOYSA-N

SMILES:

N#Cc1cc2C(=O)CCCc2oc1=O

Complexity:

434

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.17g/mol

Monoisotopic Mass:

189.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5