Name: Name:5-cyano-5-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-oxopentanoic acid
Brand: Angene
SKU: AG019KN0
Rating: 90 (10 reviews)

5-cyano-5-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-oxopentanoic acid

CAS No.:

930395-86-1

Catalog Number:

AG019KN0

Molecular Formula:

C15H15N3O3

Molecular Weight:

285.2979

Catalog Number:

AG019KN0

Chemical Name:

5-cyano-5-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4-oxopentanoic acid

CAS Number:

930395-86-1

Molecular Formula:

C15H15N3O3

Molecular Weight:

285.2979

MDL Number:

MFCD09356518

IUPAC Name:

5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-4-oxopentanoic acid

InChI:

InChI=1S/C15H15N3O3/c1-17-11-5-3-4-6-12(11)18(2)15(17)10(9-16)13(19)7-8-14(20)21/h3-6H,7-8H2,1-2H3,(H,20,21)

InChI Key:

XWUUPELPPUWKPW-UHFFFAOYSA-N

SMILES:

N#CC(=c1n(C)c2c(n1C)cccc2)C(=O)CCC(=O)O

Complexity:

512

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.303g/mol

Monoisotopic Mass:

285.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2