Basic information
- CAS
823-18-7- Standard SMILES
O[C@@H]1CCC[C@H](O)C1- InChIKey
RLMGYIOTPQVQJR-OLQVQODUSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
Names & identifiers
- Preferred name
- 1,3-Cyclohexanediol, cis-
- IUPAC
- cis-(1R,3S)-cyclohexane-1,3-diol
- English name
- cyclohexane-1,3-diol
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
1,3-Cyclohexanediol, cis-T2ZF6VZ7WCRefChem:1052765cis-1,3-Cyclohexanediol823-18-7cis-Cyclohexane-1,3-diol(1S,3R)-cyclohexane-1,3-diol(1R,3S)-CYCLOHEXANE-1,3-DIOLMFCD079950461,3-Cyclohexanediol, (1R,3S)-rel-cis-1,3-cyclohexandiolcis-Cyclohexandiol-(1,3)
Show more names
cis-1，3-cyclohexyldiol(1R,3S)-1,3-Cyclohexanediol(1R)-Cyclohexane-1β,3β-diolcis-1,3-Cyclohexanediol >cis-1,3-Dihydroxycyclohexane(1R)-1β,3β-Dihydroxycyclohexane
cis-1,3-Dihydroxycyclohexane1,3-Cyclohexanediol, (Z)-SCHEMBL1492517SCHEMBL9198860rel-(1R,3S)-1,3-CyclohexanediolAKOS028113245rel-(1R,3S)-Cyclohexane-1,3-diol['cis', '-1,3-Dihydroxycyclohexane']
Database identifiers
- CAS
823-18-7- PubChem CID
- 6432741
- UNII
- T2ZF6VZ7WC
- Nikkaji
- J79.972F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.9
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 81 to · 81.0 to 85.0 °C
- Boiling point
- 125 °C/5mmHg · 125°C/5mmHg(lit.)
- Density
- 0.9958 · 0.9958 (rough estimate)
- refractive index
- 1.434 · 1.4340 (estimate)
- form
- powder to crystal
- pka
- 14.7 · 14.70±0.40(Predicted)
- color
- White to Almost white
- HS Code
- 2906190090 · 2906190090
Safety & regulation
Safety data
- hs_code
- 2906190090
Chemistry & industry
Applications
Usescis-1,3-Cyclohexanediol is a useful research chemical, a metabolite of side-chain of candesartan cilexetil.
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宁波苯康基石医药科技有限公司15990591583
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
5 records
Compound notes
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