Home Carboxys 4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid

4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid

CAS No.:
1495236-90-2
Catalog Number:
AG01B7B1
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
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Product Description
Catalog Number:
AG01B7B1
Chemical Name:
4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid
CAS Number:
1495236-90-2
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD30476150
IUPAC Name:
4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid
InChI:
InChI=1S/C10H13NO4/c1-7-6-8(15-11-7)10(9(12)13)2-4-14-5-3-10/h6H,2-5H2,1H3,(H,12,13)
InChI Key:
MRIJLKQBVLPOCU-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)c1onc(c1)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties