Name: Name:Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-4-hydroxy-, 1,1-diMethylethyl ester
Brand: Angene
SKU: AG0007JB
Rating: 90 (10 reviews)

Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-4-hydroxy-, 1,1-diMethylethyl ester

CAS No.:

1024604-94-1

Catalog Number:

AG0007JB

Molecular Formula:

C18H25NO4

Molecular Weight:

319.3954

Catalog Number:

AG0007JB

Chemical Name:

Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-4-hydroxy-, 1,1-diMethylethyl ester

CAS Number:

1024604-94-1

Molecular Formula:

C18H25NO4

Molecular Weight:

319.3954

MDL Number:

MFCD22377049

IUPAC Name:

tert-butyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

InChI:

InChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-15(13)22-18/h4-7,14,20H,8-12H2,1-3H3

InChI Key:

JQECWLCCCODXAC-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(CC1)CC(O)c1c(O2)cccc1)OC(C)(C)C

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.401g/mol

Monoisotopic Mass:

319.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4