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1710-73-2 | Malonic acid,(3-isothiazolylmethyl)methyl-, diethyl ester (7CI,8CI)
CAS No: 1710-73-2 Catalog No: AG0077U3 MDL No:
Product Description
Catalog Number:
AG0077U3
Chemical Name:
Malonic acid,(3-isothiazolylmethyl)methyl-, diethyl ester (7CI,8CI)
CAS Number:
1710-73-2
Molecular Formula:
C12H17NO4S
Molecular Weight:
271.3327
IUPAC Name:
diethyl 2-methyl-2-(1,2-thiazol-3-ylmethyl)propanedioate
InChI:
InChI=1S/C12H17NO4S/c1-4-16-10(14)12(3,11(15)17-5-2)8-9-6-7-18-13-9/h6-7H,4-5,8H2,1-3H3
InChI Key:
AUCCKTYDCHANRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Cc1ccsn1)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.331g/mol
Monoisotopic Mass:
271.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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