Name: Name:2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-hydroxy-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG002GZE
Rating: 90 (10 reviews)

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-hydroxy-, 1,1-dimethylethyl ester

CAS No.:

188576-49-0

Catalog Number:

AG002GZE

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

Catalog Number:

AG002GZE

Chemical Name:

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-hydroxy-, 1,1-dimethylethyl ester

CAS Number:

188576-49-0

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

MDL Number:

MFCD08275036

IUPAC Name:

tert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-4-5-12(16)8-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3

InChI Key:

SVWCQVGJRNYYBX-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.31g/mol

Monoisotopic Mass:

249.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3