CC1=NOC=C1C(=O)O
CAS: 17153-20-7
Nom: 3-methyl-1,2-oxazole-4-carboxylic acid
SMILES: CC1=NOC=C1C(=O)O

Molecular Processing

Molecular formula
C5H5NO3
Molecular weight
127.1
Exact mass
127.0269
XLogP
0.68
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
28.2

Supplementary Information

InChIKey: YBLSBWHFPXDRHC-UHFFFAOYSA-N
Synonymes
3-methyl-1,2-oxazole-4-carboxylic AcidRefChem:503364681-430-13-Methylisoxazole-4-carboxylic acid17153-20-73-methyl-4-isoxazolecarboxylic acidMFCD013181613-methyl-isoxazole-4-carboxylic acid4-Isoxazolecarboxylic acid, 3-methyl-3-Methyl-4-isoxazolecarboxylic Acid;3-Methylisoxazole-4-carboxylicacidSCHEMBL263448W4B6RR5U86SCHEMBL20505178methylisoxazole-4-carboxylic acidDTXSID204046223-methylisoxazole-s-carboxylic acidSBB019198STK695175AKOS003674106CS-W002761FM30881PS-5882SY014142ST4147439EN300-99518F066201
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Recherche Etendue

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