Basic information
- CAS
63019-39-6- Standard SMILES
Oc1ccc2ccc3c4ccccc4ccc3c2c1- InChIKey
PULKTNQKGZNFNB-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Overview
Chrysen-3-ol is a hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite.
Names & identifiers
- Preferred name
- 3-Hydroxychrysene
- IUPAC
- chrysen-3-ol
- English name
- 3-Hydroxychrysene
- Molecular formula
- C18H12O
- Molecular weight
- 244.29
Names & synonyms
3-HydroxychryseneChrysen-3-ol63019-39-63-CHRYSENOLO6Q8T78RF6DTXSID6038320CHEBI:132405RefChem:94284DTXCID4018320CHEMBL7970CCRIS 2028BRN 3295572
Show more names
UNII-O6Q8T78RF6SCHEMBL14809442PULKTNQKGZNFNB-UHFFFAOYSA-NMSK15415BDBM50474723MFCD01736446AKOS027321157NS00077074
Database identifiers
- CAS
63019-39-6- PubChem CID
- 44285
- DTXSID
DTXSID6038320- ChEMBL
CHEMBL7970- ChEBI
CHEBI:132405- UNII
- O6Q8T78RF6
- Nikkaji
- J356.068F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- solubility
- Acetone (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- White to Pale Beige
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 Q8T78RF6 · O6Q8T78RF6
Chemistry & industry
Applications
Uses3-Hydroxychrysene is used as a biomarker in monitoring the exposure of marine life to pollutants. Metabolite of Chrysene (C428000).
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳纽柯尔化学技术有限公司13612807752 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: A hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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