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102040-34-6 | 2-Propenoic acid, 2-methyl-, (2-oxo-3(2H)-benzothiazolyl)methyl ester
CAS No: 102040-34-6 Catalog No: AG0006G6 MDL No:
Product Description
Catalog Number:
AG0006G6
Chemical Name:
2-Propenoic acid, 2-methyl-, (2-oxo-3(2H)-benzothiazolyl)methyl ester
CAS Number:
102040-34-6
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
(2-oxo-1,3-benzothiazol-3-yl)methyl 2-methylprop-2-enoate
InChI:
InChI=1S/C12H11NO3S/c1-8(2)11(14)16-7-13-9-5-3-4-6-10(9)17-12(13)15/h3-6H,1,7H2,2H3
InChI Key:
KXPZUBIYXVMNPU-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCn1c(=O)sc2c1cccc2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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