Basic information
- CAS
7509-13-9- Standard SMILES
O=C(O)c1cc2ccccc2c(=O)[nH]1- InChIKey
KYWCUACNBIYDNL-UHFFFAOYSA-N- Molecular formula
- C10H7NO3
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.04259308
Names & identifiers
- Preferred name
- 1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid
- IUPAC
- 1-oxo-2H-isoquinoline-3-carboxylic acid
- English name
- 1-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acid
- Molecular formula
- C10H7NO3
- Molecular weight
- 189.17
Names & synonyms
1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid3-isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-DTXSID00299558RefChem:435310DTXCID50250694816-806-8InChI=1/C6H4N4O2/c11-6(12)4-2-1-3-10-5(4)7-8-9-10/h1-3H,(H,11,127509-13-91-oxo-2H-isoquinoline-3-carboxylic acidMFCD018451621-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acidisoquinolonic acid
Show more names
IFLAB-BB F3207-0037
NSC1313391,2-Dihydro-1-oxoisoquinoline-3-carboxylic acid1-isoquinolonecarboxylic acidSCHEMBL2815600SCHEMBL4768998Isocarbostyril-3-carboxylic acidSCHEMBL29430150KYWCUACNBIYDNL-UHFFFAOYSA-N
Database identifiers
- CAS
7509-13-9- PubChem CID
- 280001
- DTXSID
DTXSID00299558- EC Number
- 816-806-8
- Nikkaji
- J81.412A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933499090 · 2933499090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯盟化学科技有限公司18916626092 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Nanjing Doge Biomedical Technology Co., Ltd+86-25-58227606 +86-15305155328 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
3 records
Compound notes
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