Home Carboxys ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate

ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate

CAS No.:
95104-47-5
Catalog Number:
AG01BBY3
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
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Product Description
Catalog Number:
AG01BBY3
Chemical Name:
ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
CAS Number:
95104-47-5
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD25969472
IUPAC Name:
ethyl 3-(hydroxymethyl)-5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C8H11NO4/c1-3-12-8(11)7-5(2)13-9-6(7)4-10/h10H,3-4H2,1-2H3
InChI Key:
YEJLCENFADMRTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)onc1CO
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:
0.1  
Properties