- Product Details
Keywords
- 4-methylxanthen-9-one
- 5396-28-1
- 98%
Quick Details
- ProName: 4-methyl-9H-xanthen-9-one 5396-28-1
- CasNo: 5396-28-1
- Molecular Formula: C14H10O2
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: as client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 10 Kilogram/Month
- Purity: 99%
- Storage: Room Temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Grade: Industrial Grade
Superiority
Details
Identification and Related Records
【Name】
4-methyl-9H-xanthen-9-one
【Iupac name】
4-methylxanthen-9-one
【CAS Registry number】
5396-28-1
【Synonyms】
4-Methylxanthen-9-one
【Molecular Formula】
C14H10O2 (Products with the same molecular formula)
【Molecular Weight】
210.228
【Inchi】
InChI=1/C14H10O2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-8H,1H3
【Canonical SMILES】
CC1=CC=CC2=C1OC3=CC=CC=C3C2=O
【MOL File】
5396-28-1.mol
Chemical and Physical Properties
【Density】
1.237g/cm3
【Boiling Point】
366°C at 760 mmHg
【Refractive Index】
1.628
【Flash Point】
174.6°C
【Computed Properties】
Molecular Weight:210.228 [g/mol]
Molecular Formula:C14H10O2
XLogP3:3.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:210.06808
MonoIsotopic Mass:210.06808
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Formal Charge:0
Complexity:287
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:2
Feature 3D Ring Count:3
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1