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100047-61-8 | 3-Isoxazolecarboxylic acid, 4,5-dimethyl-
CAS No: 100047-61-8 Catalog No: AG0000OJ MDL No:MFCD05667138
Product Description
Catalog Number:
AG0000OJ
Chemical Name:
3-Isoxazolecarboxylic acid, 4,5-dimethyl-
CAS Number:
100047-61-8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD05667138
IUPAC Name:
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c1-3-4(2)10-7-5(3)6(8)9/h1-2H3,(H,8,9)
InChI Key:
KLPASEZGNSBTBD-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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