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1196151-81-1 | 2-Oxazolecarboxylic acid, 4-methyl-
CAS No: 1196151-81-1 Catalog No: AG000PBO MDL No:MFCD11870842
Product Description
Catalog Number:
AG000PBO
Chemical Name:
2-Oxazolecarboxylic acid, 4-methyl-
CAS Number:
1196151-81-1
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD11870842
IUPAC Name:
4-methyl-1,3-oxazole-2-carboxylic acid
InChI:
InChI=1S/C5H5NO3/c1-3-2-9-4(6-3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:
DQNBHCVJLBBYRW-UHFFFAOYSA-N
SMILES:
Cc1coc(n1)C(=O)O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Total synthesis of (-)-hennoxazole A. | The Journal of organic chemistry 20080104 |
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