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154928-90-2 | 4-Isoxazolepropanoic acid, 3,5-dimethyl-, methyl ester
CAS No: 154928-90-2 Catalog No: AG001NHD MDL No:
Product Description
Catalog Number:
AG001NHD
Chemical Name:
4-Isoxazolepropanoic acid, 3,5-dimethyl-, methyl ester
CAS Number:
154928-90-2
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
InChI:
InChI=1S/C9H13NO3/c1-6-8(7(2)13-10-6)4-5-9(11)12-3/h4-5H2,1-3H3
InChI Key:
CCJKJNYCQZFBDN-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1c(C)noc1C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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