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89006-96-2 | 4-Oxazolecarboxylic acid, 5-(1-methylethyl)-
CAS No: 89006-96-2 Catalog No: AG0044UH MDL No:MFCD07376161
Product Description
Catalog Number:
AG0044UH
Chemical Name:
4-Oxazolecarboxylic acid, 5-(1-methylethyl)-
CAS Number:
89006-96-2
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD07376161
IUPAC Name:
5-propan-2-yl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c1-4(2)6-5(7(9)10)8-3-11-6/h3-4H,1-2H3,(H,9,10)
InChI Key:
ZVOZWIXEPNCJFY-UHFFFAOYSA-N
SMILES:
CC(c1ocnc1C(=O)O)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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