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141562-83-6 | 3,5-Isoxazoledicarboxylic acid, 4,5-dihydro-5-methyl-, 3-ethyl ester, (5S)-
CAS No: 141562-83-6 Catalog No: AG001GLA MDL No:
Product Description
Catalog Number:
AG001GLA
Chemical Name:
3,5-Isoxazoledicarboxylic acid, 4,5-dihydro-5-methyl-, 3-ethyl ester, (5S)-
CAS Number:
141562-83-6
Molecular Formula:
C8H10NO5-
Molecular Weight:
200.1687
IUPAC Name:
3-ethoxycarbonyl-5-methyl-4H-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C8H11NO5/c1-3-13-6(10)5-4-8(2,7(11)12)14-9-5/h3-4H2,1-2H3,(H,11,12)/p-1
InChI Key:
WNKKTXZDEVWHHD-UHFFFAOYSA-M
SMILES:
[O-]C(=O)[C@]1(C)CC(=NO1)C(=O)OCC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.056g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.17g/mol
Monoisotopic Mass:
200.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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