Methyl (1,2-benzoxazol-3-yl)acetate

HCID 2763403
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Basic information

CAS
59899-89-7
Standard SMILES
COC(=O)Cc1noc2ccccc12
InChIKey
VKNXYAQLRDOEFK-UHFFFAOYSA-N
Molecular formula
C10H9NO3
Average molar mass
191.18 g/mol
Monoisotopic mass
191.05824315

Names & identifiers

Preferred name
Methyl (1,2-benzoxazol-3-yl)acetate
IUPAC
methyl 2-(1,2-benzoxazol-3-yl)acetate
English name
Methyl 2-(1,2-benzisoxazol-3-yl)acetate
Molecular formula
C10H9NO3
Molecular weight
191.18

Names & synonyms

59899-89-7DTXSID20376936Methyl (1,2-benzoxazol-3-yl)acetateRefChem:352856DTXCID80327964methyl 2-(1,2-benzisoxazol-3-yl)acetatemethyl 2-(1,2-benzoxazol-3-yl)acetateMETHYL 2-(BENZO[D]ISOXAZOL-3-YL)ACETATEMFCD04117784SCHEMBL6995111VKNXYAQLRDOEFK-UHFFFAOYSA-NMethyl 1,2-benzoxazol-3-ylacetate
Show more names
1,2-Benzisoxazole-3-acetic acid, methyl ester
methyl 1,2-benzisoxazole-3-acetateSBB091282methyl 1 ,2-benzisoxazole-3-acetateAKOS005069605methyl 2-benzo[d]isoxazol-3-ylacetateAB20739SY260490CS-0213434

Database identifiers

CAS
59899-89-7
PubChem CID
2763403
DTXSID
DTXSID20376936

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
280 · P280-P302+P352-P304+P340
Hazard Codes
Xn
Risk Statements
36 · 36/37/38-22

Safety & regulation

Safety data

hs_code
2934999090
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-36/37/39

Chemistry & industry

Suppliers12 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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