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1024604-94-1 | 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 No: AG0007JB MDL No:MFCD22377049
Product Description
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
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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