Basic information
- CAS
35556-81-1- Standard SMILES
COc1ccc2[nH]c3c(c2c1)C(=O)CCC3- InChIKey
UIONPYATGROVHA-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 6-Methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-one
- IUPAC
- 6-methoxy-1,2,3,9-tetrahydrocarbazol-4-one
- English name
- 6-Methoxy-1,2,3,9-tetrahydro-carbazol-4-one
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
35556-81-16-Methoxy-1,2,3,9-tetrahydro-4H-carbazol-4-oneDTXSID40570116RefChem:308678DTXCID905208886-METHOXY-1,2,3,9-TETRAHYDRO-CARBAZOL-4-ONE6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-one6-Methoxy-2,3-dihydro-1H-carbazol-4(9H)-oneMFCD111683686-METHOXY-1,2,3,9-TETRAHYDROCARBAZOL-4-ONESCHEMBL6925320UIONPYATGROVHA-UHFFFAOYSA-N
Show more names
4H-Carbazol-4-one, 1,2,3,9-tetrahydro-6-methoxy-
KBA55681AKOS009208083SB36801CS-0340484EN300-122963G286081,2,3,9-Tetrahydro-6-methoxy-4H-carbazol-4-oneZ336151236
Database identifiers
- CAS
35556-81-1- PubChem CID
- 15212801
- DTXSID
DTXSID40570116- Nikkaji
- J3.259.360G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 250 · 250-254 °C
- Boiling point
- 420.8 · 420.8±40.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 15.54 · 15.54±0.20(Predicted)
Chemistry & industry
Suppliers6 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Related reactions
6 records
Compound notes
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