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100047-54-9

100047-54-9 | 4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester

CAS No: 100047-54-9 Catalog No: AG0000NF MDL No:MFCD09756501

Product Description

Catalog Number:
AG0000NF
Chemical Name:
4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester
CAS Number:
100047-54-9
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD09756501
IUPAC Name:
methyl 5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-4-5(3-7-10-4)6(8)9-2/h3H,1-2H3
InChI Key:
AHLBUWIGURZNRZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnoc1C
EC Number:
600-020-5

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:
0.6  

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