4-Oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid

HCID 15337632CAS 168271-91-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1c[nH]c2c1C(=O)CCC2
InChIKey
IOPXFUALWUTZQK-UHFFFAOYSA-N
Molecular formula
C9H9NO3
Average molar mass
179.17 g/mol
Monoisotopic mass
179.05824315

Names & identifiers

Preferred name
4-Oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid
IUPAC
4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid
English name
4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID
Molecular formula
C9H9NO3
Molecular weight
179.17

Names & synonyms

168271-91-84-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBOXYLIC ACIDMFCD11044063SCHEMBL16634844,5,6,7-tetrahydro-4-oxo-1H-Indole-3-carboxylic acidDTXSID80571703IOPXFUALWUTZQK-UHFFFAOYSA-N4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLICACIDAKOS006309162DA-22019CS-0376874
Show more names
H411291H-Indole-3-carboxylic acid, 4,5,6,7-tetrahydro-4-oxo-

Database identifiers

CAS
168271-91-8
PubChem CID
15337632
DTXSID
DTXSID80571703

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
70.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Chemistry & industry

Suppliers5 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海研易宝医药科技有限公司13661744693 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]

Related reactions

31 records
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Linked notes

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