9,9-Dimethylxanthene(CAS No. 19814-75-6)

9,9-Dimethylxanthene C15H14O (cas 19814-75-6) Molecular Structure

19814-75-6 Structure

Identification and Related Records

【Name】
9,9-Dimethylxanthene
【Iupac name】
9,9-dimethylxanthene
【CAS Registry number】
19814-75-6
【Synonyms】
Xanthene,9,9-dimethyl- (8CI)
9,9-Dimethyl-9H-xanthene
【Molecular Formula】
C15H14O (Products with the same molecular formula)
【Molecular Weight】
210.2711
【Inchi】
InChI=1/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
【Canonical SMILES】
CC1(C2=CC=CC=C2OC3=CC=CC=C31)C
【MOL File】
19814-75-6.mol

Chemical and Physical Properties

【Appearance】
Light yellow liquid
【Density】
1.075 g/cm3
【Melting Point】
35-38℃
【Boiling Point】
114℃ (0.6 torr)
【Vapour】
0.000554mmHg at 25°C
【Refractive Index】
1.576
【Flash Point】
130.2 °C
【Computed Properties】
Molecular Weight:210.27106 [g/mol]
Molecular Formula:C15H14O
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:210.104465
MonoIsotopic Mass:210.104465
Topological Polar Surface Area:9.2
Heavy Atom Count:16
Formal Charge:0
Complexity:234
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Safety】

WGK Germany: 3

【Specification】

 9,9-Dimethyl-9H-xanthene (CAS NO.19814-75-6) is also named as 9H-xanthene, 9,9-dimethyl- ; Xanthene, 9,9-dimethyl- ; 9,9-Dimethylxantene ; 9,9-Dimethylxanthene .

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