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157170-96-2 | 3-Isoxazolecarboxylic acid, 4-(hydroxymethyl)-5-methyl-, ethyl ester
CAS No: 157170-96-2 Catalog No: AG001P98 MDL No:
Product Description
Catalog Number:
AG001P98
Chemical Name:
3-Isoxazolecarboxylic acid, 4-(hydroxymethyl)-5-methyl-, ethyl ester
CAS Number:
157170-96-2
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
IUPAC Name:
ethyl 4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H11NO4/c1-3-12-8(11)7-6(4-10)5(2)13-9-7/h10H,3-4H2,1-2H3
InChI Key:
ISHVVBUYONQOBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1CO)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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