Name: Name:2-tert-Butyl 3-ethyl isoquinoline-2,3(1H)-dicarboxylate
Brand: Angene
SKU: AG00BJZ6
Rating: 90 (10 reviews)

2-tert-Butyl 3-ethyl isoquinoline-2,3(1H)-dicarboxylate

CAS No.:

298209-94-6

Catalog Number:

AG00BJZ6

Molecular Formula:

C17H21NO4

Molecular Weight:

303.3529

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United States

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Catalog Number:

AG00BJZ6

Chemical Name:

2-tert-Butyl 3-ethyl isoquinoline-2,3(1H)-dicarboxylate

CAS Number:

298209-94-6

Molecular Formula:

C17H21NO4

Molecular Weight:

303.3529

MDL Number:

MFCD17676248

IUPAC Name:

2-O-tert-butyl 3-O-ethyl 1H-isoquinoline-2,3-dicarboxylate

InChI:

InChI=1S/C17H21NO4/c1-5-21-15(19)14-10-12-8-6-7-9-13(12)11-18(14)16(20)22-17(2,3)4/h6-10H,5,11H2,1-4H3

InChI Key:

KZBYOKMQBXTJRR-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=Cc2ccccc2CN1C(=O)OC(C)(C)C

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.358g/mol

Monoisotopic Mass:

303.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2