Ethyl 5-cyclopropylisoxazole-3-carboxylate

HCID 55251041CAS 21080-81-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cc(C2CC2)on1
InChIKey
XMKHEATVFWAIMD-UHFFFAOYSA-N
Molecular formula
C9H11NO3
Average molar mass
181.19 g/mol
Monoisotopic mass
181.07389321

Names & identifiers

Preferred name
Ethyl 5-cyclopropylisoxazole-3-carboxylate
IUPAC
ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylate
English name
Ethyl 5-Cyclopropylisoxazole-3-carboxylate
Molecular formula
C9H11NO3
Molecular weight
181.19

Names & synonyms

Ethyl 5-cyclopropylisoxazole-3-carboxylate21080-81-9ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylateMFCD112171573-Isoxazolecarboxylic acid, 5-cyclopropyl-, ethyl esterEthyl5-Cyclopropylisoxazole-3-carboxylateSCHEMBL892257DTXSID80716930XMKHEATVFWAIMD-UHFFFAOYSA-NAKOS006280720DA-17447DS-18104
Show more names
SY018271CS-0042956F232280F1916-9868

Database identifiers

CAS
21080-81-9
PubChem CID
55251041
DTXSID
DTXSID80716930
Nikkaji
J3.618.736K

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature
Symbol(GHS)
9 · GHS09
Signal word
Warning
Hazard statements
411 · H411
Precautionary statements
501 · P501-P273-P391
HS Code
2934999090 · 2934999090

Safety & regulation

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H411
Precautionary statements
P501-P273-P391

Chemistry & industry

Upstream & downstream products

Suppliers23 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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