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1018053-71-8 | 3-Isoxazolecarboxylic acid, 5-(1-methylethyl)-, methyl ester
CAS No: 1018053-71-8 Catalog No: AG0005LY MDL No:MFCD09701707
Product Description
Catalog Number:
AG0005LY
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(1-methylethyl)-, methyl ester
CAS Number:
1018053-71-8
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD09701707
IUPAC Name:
methyl 5-propan-2-yl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H11NO3/c1-5(2)7-4-6(9-12-7)8(10)11-3/h4-5H,1-3H3
InChI Key:
GLPRXWPACIPPMF-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)C(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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