Basic information
- CAS
34681-29-3- Standard SMILES
O=C(O)CC1CCCC2CCCCC21- InChIKey
LZILGJHQBKWXGQ-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- (Decahydro-naphthalen-1-YL)-acetic acid
- IUPAC
- 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetic acid
- English name
- (DECAHYDRO-NAPHTHALEN-1-YL)-ACETIC ACID
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
34681-29-3(DECAHYDRO-NAPHTHALEN-1-YL)-ACETIC ACID2-(decahydronaphthalen-1-yl)acetic acid2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetic acidNSC33961SCHEMBL3891585DTXSID30956167JBA68129NSC-33961(Decahydronaphthalen-1-yl)acetic acidAKOS006293603EN300-6731952
Show more names
1-Naphthaleneacetic acid, decahydro-cis-(Decahydro-naphthalen-1-yl)-acetic acid
Z1198168834
Database identifiers
- CAS
34681-29-3- PubChem CID
- 234292
- DTXSID
DTXSID30956167
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 162 · 162-163 °C(Solvent: Ligroine)
- Boiling point
- 317.501 · 317.501±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.691 · 4.691±0.10(predicted)
Chemistry & industry
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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