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198135-28-3 | 3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester
CAS No: 198135-28-3 Catalog No: AG002BBF MDL No:
Product Description
Catalog Number:
AG002BBF
Chemical Name:
3,4-Isoxazoledicarboxylic acid, 5-methyl-, 3-ethyl 4-methyl ester
CAS Number:
198135-28-3
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
IUPAC Name:
3-O-ethyl 4-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
InChI:
InChI=1S/C9H11NO5/c1-4-14-9(12)7-6(8(11)13-3)5(2)15-10-7/h4H2,1-3H3
InChI Key:
HSIQYPVEKFLRCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1C(=O)OC)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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