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15055-81-9 | 5-Isoxazolecarboxylic acid, methyl ester
CAS No: 15055-81-9 Catalog No: AG001MPN MDL No:MFCD01570794
Product Description
Catalog Number:
AG001MPN
Chemical Name:
5-Isoxazolecarboxylic acid, methyl ester
CAS Number:
15055-81-9
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD01570794
IUPAC Name:
methyl 1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C5H5NO3/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3
InChI Key:
ILPCPKZAAQXHKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccno1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/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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