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1160490-11-8 | 6-Benzoxazolecarboxylic acid, 2-(methylthio)-, methyl ester
CAS No: 1160490-11-8 Catalog No: AG000BH0 MDL No:MFCD14706595
Product Description
Catalog Number:
AG000BH0
Chemical Name:
6-Benzoxazolecarboxylic acid, 2-(methylthio)-, methyl ester
CAS Number:
1160490-11-8
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD14706595
IUPAC Name:
methyl 2-methylsulfanyl-1,3-benzoxazole-6-carboxylate
InChI:
InChI=1S/C10H9NO3S/c1-13-9(12)6-3-4-7-8(5-6)14-10(11-7)15-2/h3-5H,1-2H3
InChI Key:
BDKGTQWURKNUJN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)oc(n2)SC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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