3-Methylisoxazole-5-carboxylic acid

HCID 853085
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Basic information

CAS
4857-42-5
Standard SMILES
Cc1cc(C(=O)O)on1
InChIKey
HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular formula
C5H5NO3
Average molar mass
127.1 g/mol
Monoisotopic mass
127.02694302

Names & identifiers

Preferred name
3-Methylisoxazole-5-carboxylic acid
IUPAC
3-methyl-1,2-oxazole-5-carboxylic acid

Names & synonyms

3-Methylisoxazole-5-carboxylic acid3-methyl-1,2-oxazole-5-carboxylic acid5-Isoxazolecarboxylic acid, 3-methyl-3-Methyl-isoxazole-5-carboxylic acid5-Isoxazolecarboxylicacid, 3-methyl-MFCD00464222BAS 101423713-METHYLISOXAZOLE-5-CARBOXYLICACIDSCHEMBL2221843-methyl-5-carboxyl-isoxazoleCHEMBL393428BDBM50211361
Show more names
CL3463STK341643AS-5178Compound 4a [PMID: 17452318]SY033484M2953AM201002003-methyl-5-carboxyisoxazole

Database identifiers

CAS
4857-42-5
PubChem CID
853085
ChEMBL
CHEMBL393428
Nikkaji
J262.495H

Properties

Computed structural propertiesFilling in

XLogP
0.6
Topological polar surface area
63.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
9

Chemistry & industry

Suppliers20 total

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]

Related reactions

29 records
New reaction record

Compound notes

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