Cas no 478-71-7 (phenanthrene-3,4-diol)
phenanthrene-3,4-diol structure
Product Name:phenanthrene-3,4-diol
CAS No:478-71-7
MF:C14H10O2
MW:210.228003978729
CID:1518439
PubChem ID:439929
Update Time:2025-04-21
phenanthrene-3,4-diol Chemical and Physical Properties
Names and Identifiers
-
- phenanthrene-3,4-diol
- Morphol
- Morphol (phenol)
- 3,4-Phenanthrenediol
- c0435
- CHEBI:16760
- 478-71-7
- 3,4-Dihydroxyphenanthrene
- SCHEMBL888261
- NS00116186
- C03164
- Q27102061
- DTXSID80197285
-
- Inchi： 1S/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H
- InChI Key： RLZZZVKAURTHCP-UHFFFAOYSA-N
- SMILES： OC1C(=CC=C2C=CC3C=CC=CC=3C2=1)O
Computed Properties
- Exact Mass: 210.0681
- Monoisotopic Mass: 210.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.360±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 143°C
- Boiling Point: 309.75°C (rough estimate)
- Refractive Index: 1.5681 (estimate)
- Solubility: Almost insoluble (0.046 g/l) (25 o C),
- PSA: 40.46
phenanthrene-3,4-diol Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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