Name: Name:methyl 3-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
Brand: Angene
SKU: AG01AM17
Rating: 90 (10 reviews)

methyl 3-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

CAS No.:

1803592-66-6

Catalog Number:

AG01AM17

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

Catalog Number:

AG01AM17

Chemical Name:

methyl 3-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

CAS Number:

1803592-66-6

Molecular Formula:

C11H11NO3

Molecular Weight:

205.2099

MDL Number:

MFCD28968328

IUPAC Name:

methyl 3-oxo-2,4-dihydro-1H-isoquinoline-4-carboxylate

InChI:

InChI=1S/C11H11NO3/c1-15-11(14)9-8-5-3-2-4-7(8)6-12-10(9)13/h2-5,9H,6H2,1H3,(H,12,13)

InChI Key:

ARSONIHTHTWDIB-UHFFFAOYSA-N

SMILES:

COC(=O)C1C(=O)NCc2c1cccc2

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.213g/mol

Monoisotopic Mass:

205.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8