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1269532-60-6 | Thiazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 6,7-dihydro-2-(hydroxyMethyl)-, 1,1-diMethylethyl ester
CAS No: 1269532-60-6 Catalog No: AG000WGN MDL No:MFCD18447482
Product Description
Catalog Number:
AG000WGN
Chemical Name:
Thiazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 6,7-dihydro-2-(hydroxyMethyl)-, 1,1-diMethylethyl ester
CAS Number:
1269532-60-6
Molecular Formula:
C12H18N2O3S
Molecular Weight:
270.3479
MDL Number:
MFCD18447482
IUPAC Name:
tert-butyl 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)14-5-4-9-8(6-14)13-10(7-15)18-9/h15H,4-7H2,1-3H3
InChI Key:
VCJZMEKGWQJKSU-UHFFFAOYSA-N
SMILES:
OCc1sc2c(n1)CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.347g/mol
Monoisotopic Mass:
270.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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