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2-hydroxy-4H-benzo[h]chromen-4-one(CAS No. 5594-97-8) CAS NO.5594-97-8
- Min.Order: 1 Kilogram
- Payment Terms: L/C,T/T,
- Product Details
Keywords
- 2H-Naphtho[1,2-b]pyran-2-one, 4-hydroxy-
- 5594-97-8
- 98%
Quick Details
- ProName: 2-hydroxy-4H-benzo[h]chromen-4-one(CAS...
- CasNo: 5594-97-8
- Molecular Formula: C13H8O3
- Appearance: Solid
- Application: Organic Chemicals
- DeliveryTime: According to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 1000 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Kilogram
Superiority
Details
【Name】
2-hydroxy-4H-benzo[h]chromen-4-one
【CAS Registry number】
5594-97-8
【Molecular Formula】
C13H8O3 (Products with the same molecular formula)
【Molecular Weight】
212.2008
【Inchi】
InChI=1/C13H8O3/c14-11-7-12(15)16-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7,15H
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)O
【Isomers smiles】
C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)O
【MOL File】
5594-97-8.mol
Chemical and Physical Properties
【Density】
1.451g/cm3
【Boiling Point】
391.5°C at 760 mmHg
【Refractive Index】
1.743
【Flash Point】
157.4°C
【Computed Properties】
Molecular Weight:212.20082 [g/mol]
Molecular Formula:C13H8O3
XLogP3-AA:2.6
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:212.047344
MonoIsotopic Mass:212.047344
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Formal Charge:0
Complexity:334
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 Donor Count:1
Feature 3D Ring Count:3
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1
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