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113697-85-1

113697-85-1 | 4-Oxazolecarboxylic acid, 5-(2,2-dimethylpropyl)-, ethyl ester

CAS No: 113697-85-1 Catalog No: AG0009D4 MDL No:

Product Description

Catalog Number:
AG0009D4
Chemical Name:
4-Oxazolecarboxylic acid, 5-(2,2-dimethylpropyl)-, ethyl ester
CAS Number:
113697-85-1
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
ethyl 5-(2,2-dimethylpropyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-5-14-10(13)9-8(15-7-12-9)6-11(2,3)4/h7H,5-6H2,1-4H3
InChI Key:
APMHAGIOEQOLKN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncoc1CC(C)(C)C

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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