Basic information
- CAS
13610-59-8- Standard SMILES
O=C(O)CCn1c(=O)oc2ccccc21- InChIKey
BMLRDVCKJXMASM-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
- IUPAC
- 3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid
- English name
- 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acidRefChem:491284808-994-513610-59-83-(2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid3(2H)-Benzoxazolepropanoicacid, 2-oxo-3(2h)-benzoxazolepropanoic acid, 2-oxo-3-(2-Oxo-benzooxazol-3-yl)-propionic acidMFCD000521663-(2-oxo-3-hydrobenzoxazol-3-yl)propanoic acid
Show more names
TIMTEC-BB SBB006970RARECHEM AL BO 0520IFLAB-BB F1546-00013-(2-CARBOXYETHYL)-2-BENZOXAZOLINONE3-(2-OXOBENZOXAZOLIN-3-YL)PROPIONIC ACID3-(2-keto-1,3-benzoxazol-3-yl)propionic acid
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoate6H6Maybridge1_008314Oprea1_658773Oprea1_757173SCHEMBL2008321CHEMBL4449480HMS565B20
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 124 · 124-126°C
- Boiling point
- 403 · 403.0±47.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
- CAS DataBase Reference
- 13610 · 13610-59-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers19 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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