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87999-03-9 | 2(3H)-Thiazolone, 4-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS No: 87999-03-9 Catalog No: AG004H5M MDL No:
Product Description
Catalog Number:
AG004H5M
Chemical Name:
2(3H)-Thiazolone, 4-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS Number:
87999-03-9
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
4-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C13H13NOS/c15-13-14-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,14,15)
InChI Key:
CKVJLPSIMPKDNM-UHFFFAOYSA-N
SMILES:
O=c1scc([nH]1)c1ccc2c(c1)CCCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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