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1229624-70-7 | 3-(5-Isopropyl-isoxazol-3-yl)-3-oxo-propionic acid methyl ester
CAS No: 1229624-70-7 Catalog No: AG01F5Y5 MDL No:
Product Description
Catalog Number:
AG01F5Y5
Chemical Name:
3-(5-Isopropyl-isoxazol-3-yl)-3-oxo-propionic acid methyl ester
CAS Number:
1229624-70-7
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
methyl 3-oxo-3-(5-propan-2-yl-1,2-oxazol-3-yl)propanoate
InChI:
InChI=1S/C10H13NO4/c1-6(2)9-4-7(11-15-9)8(12)5-10(13)14-3/h4,6H,5H2,1-3H3
InChI Key:
ILMGOMGTJWWEHQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1noc(c1)C(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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