Name: Name:1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester
Brand: Angene
SKU: AG009C6A
Rating: 90 (10 reviews)

1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester

CAS No.:

1259393-27-5

Catalog Number:

AG009C6A

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

Catalog Number:

AG009C6A

Chemical Name:

1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-7,9-diMethyl-5-oxo-, Methyl ester

CAS Number:

1259393-27-5

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

MDL Number:

MFCD22495465

IUPAC Name:

methyl 7,9-dimethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxylate

InChI:

InChI=1S/C14H17NO3/c1-9-7-10(2)13-11(8-9)12(16)5-4-6-15(13)14(17)18-3/h7-8H,4-6H2,1-3H3

InChI Key:

LJLULFIFHATTHI-UHFFFAOYSA-N

SMILES:

COC(=O)N1CCCC(=O)c2c1c(C)cc(c2)C

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.294g/mol

Monoisotopic Mass:

247.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3