2,3-Dioxoindoline-6-carboxylic acid

HCID 178790676CAS 101870-10-4
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1Nc2cc(C(=O)O)ccc2C1=O
InChIKey
RUMQRGWLWISNDH-UHFFFAOYSA-N
Molecular formula
C9H5NO4
Average molar mass
191.14 g/mol

Names & identifiers

Preferred name
2,3-Dioxoindoline-6-carboxylic acid
IUPAC
2,3-dioxo-1H-indole-6-carboxylic acid
English name
2,3-Dioxoindoline-6-carboxylic acid
Molecular formula
C9H5NO4
Molecular weight
191.14

Names & synonyms

2,3-Dioxoindoline-6-carboxylic acid101870-10-42,3-dioxo-1H-indole-6-carboxylic acid2,3-dioxo-2,3-dihydro-1H-indole-6-carboxylic acid1H-Indole-6-carboxylic acid, 2,3-dihydro-2,3-dioxo-Isatin-6-carbonsaureSCHEMBL310165292,3-Dioxoindoline-6-carboxylicacidAKOS015898507AT37875SB66037EN300-186850

Database identifiers

CAS
101870-10-4

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
83.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Density
1.591 · 1.591±0.06 g/cm3(Predicted)
pka
3.31 · 3.31±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers10 total

Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…