9H-Xanthene-9-methanol
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Basic information
- CAS
5490-92-6- Standard SMILES
OCC1c2ccccc2Oc2ccccc21- InChIKey
XODHGYGQZLHGJZ-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- 9H-Xanthene-9-methanol
- IUPAC
- 9H-xanthen-9-ylmethanol
- English name
- 9H-Xanthene-9-methanol
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
9H-Xanthene-9-methanol5490-92-6DTXSID90384280RefChem:313799DTXCID00335304(9H-xanthen-9-yl)methanol9H-xanthen-9-ylmethanolMFCD001003639-xanthenemethanol9-hydroxymethylxantheneMaybridge3_000515Oprea1_124438
Show more names
SCHEMBL8820720SCHEMBL29798222SCHEMBL31410667XODHGYGQZLHGJZ-UHFFFAOYSA-NHMS1432H09CS-M0134FAA49092AKOS015156486
Database identifiers
- CAS
5490-92-6- PubChem CID
- 2801591
- DTXSID
DTXSID90384280- Nikkaji
- J1.585.171F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 67 · 67-68 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 338 · 338.0±21.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 13.07 · 13.07±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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