Name: Name:2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-hydroxy-, phenylmethylester
Brand: Angene
SKU: AG01DTIK
Rating: 90 (10 reviews)

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-hydroxy-, phenylmethylester

CAS No.:

185057-06-1

Catalog Number:

AG01DTIK

Molecular Formula:

C17H17NO3

Molecular Weight:

283.3218

Catalog Number:

AG01DTIK

Chemical Name:

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-hydroxy-, phenylmethylester

CAS Number:

185057-06-1

Molecular Formula:

C17H17NO3

Molecular Weight:

283.3218

MDL Number:

MFCD31652308

IUPAC Name:

benzyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C17H17NO3/c19-16-7-6-15-11-18(9-8-14(15)10-16)17(20)21-12-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2

InChI Key:

UCURZBWDWQLBDZ-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)CCN(C2)C(=O)OCc1ccccc1

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.327g/mol

Monoisotopic Mass:

283.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8