Name: Name:TERT-BUTYL 8-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
Brand: Angene
SKU: AG00DAOH
Rating: 90 (10 reviews)

TERT-BUTYL 8-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

CAS No.:

464900-21-8

Catalog Number:

AG00DAOH

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

Catalog Number:

AG00DAOH

Chemical Name:

TERT-BUTYL 8-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

CAS Number:

464900-21-8

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

MDL Number:

MFCD08275035

IUPAC Name:

tert-butyl 8-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

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

InChI Key:

XRFYCODXEUSTFU-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(O)ccc2)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