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1004-96-2 | 5-Isoxazolecarboxylic acid, 3-methyl-, methyl ester
CAS No: 1004-96-2 Catalog No: AG0001WI MDL No:MFCD10699057
Product Description
Catalog Number:
AG0001WI
Chemical Name:
5-Isoxazolecarboxylic acid, 3-methyl-, methyl ester
CAS Number:
1004-96-2
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD10699057
IUPAC Name:
methyl 3-methyl-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-4-3-5(10-7-4)6(8)9-2/h3H,1-2H3
InChI Key:
MBRNUSBFRMCWIZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1onc(c1)C
EC Number:
213-730-1
Properties
Complexity:
137
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:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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