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122364-82-3 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-naphthalenyl)-, (4S)-
CAS No: 122364-82-3 Catalog No: AG001767 MDL No:
Product Description
Catalog Number:
AG001767
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-naphthalenyl)-, (4S)-
CAS Number:
122364-82-3
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
(4S)-2-(6-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C14H11NO3S/c16-11-4-3-8-5-10(2-1-9(8)6-11)13-15-12(7-19-13)14(17)18/h1-6,12,16H,7H2,(H,17,18)/t12-/m1/s1
InChI Key:
DYBTWQQNDQLASO-GFCCVEGCSA-N
SMILES:
OC(=O)[C@H]1CSC(=N1)c1ccc2c(c1)ccc(c2)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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