Basic information
- Standard SMILES
O=C(O)c1cc2ccccc2n1-c1ccccc1- InChIKey
WMHIWHPGXRRKJM-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 1-Phenyl-1H-Indole-2-Carboxylic Acid
- IUPAC
- 1-phenylindole-2-carboxylic acid
- English name
- 1-Phenyl-1H-indole-2-carboxylic acid
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
1-Phenyl-1H-indole-2-carboxylic acid58386-33-7DTXSID70349418RefChem:435532DTXCID70300488107-171-11-phenylindole-2-carboxylic acidF1901-0148l-phenylindole-2-carboxylic acidOprea1_131946Oprea1_758371MLS000031299
Show more names
AKOS BBS-00000173IFLAB-BB F1901-01481H-Indole-2-carboxylic acid, 1-phenyl-
SCHEMBL52083381-phenylindol-2-carboxylic acidCHEMBL1587360SCHEMBL16719428SCHEMBL301941961-phenyl-2-indolecarboxylic acidWMHIWHPGXRRKJM-UHFFFAOYSA-NHMS1604K08
Database identifiers
- CAS
58386-33-7- PubChem CID
- 646116
- DTXSID
DTXSID70349418- ChEMBL
CHEMBL1587360- EC Number
- 107-171-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
6 records
Linked notes
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