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23012-13-7 | Oxazole-4-carboxylic acid
CAS No: 23012-13-7 Catalog No: AG002LUZ MDL No:MFCD06797151
Product Description
Catalog Number:
AG002LUZ
Chemical Name:
Oxazole-4-carboxylic acid
CAS Number:
23012-13-7
Molecular Formula:
C4H3NO3
Molecular Weight:
113.0715
MDL Number:
MFCD06797151
IUPAC Name:
1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
InChI Key:
JBCFJMYPJJWIRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cocn1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.011g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.072g/mol
Monoisotopic Mass:
113.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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