(4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate 52152-86-0 CAS NO.52152-86-0

Min.Order: 1 Gram
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Product Details

Keywords

2H-Pyran-3(6H)-one,4-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-methoxy-, (2R-cis)- (9CI)
(4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate
52152-86-0

Quick Details

ProName: (4-benzoyloxy-6-methoxy-5-oxo-2H-pyran...
CasNo: 52152-86-0
Molecular Formula: C21H18O7
Appearance: Liquid
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
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
2H-Pyran-3(6H)-one,4-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-methoxy-, (2R-cis)- (9CI)
【Iupac name】
(4-benzoyloxy-6-methoxy-5-oxo-2H-pyran-2-yl)methyl benzoate
【CAS Registry number】
52152-86-0
【Synonyms】
NSC 304952
【Molecular Formula】
C21H18 O7 (Products with the same molecular formula)
【Molecular Weight】
382.3634
【Inchi】
InChI=1/C21H18O7/c1-25-21-18(22)17(28-20(24)15-10-6-3-7-11-15)12-16(27-21)13-26-19(23)14-8-4-2-5-9-14/h2-12,16,21H,13H2,1H3
【Canonical SMILES】
COC1C(=O)C(=CC(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Chemical and Physical Properties
【Density】
1.32g/cm3
【Boiling Point】
553°Cat760mmHg
【Refractive Index】
1.596
【Flash Point】
242.4°C
【Computed Properties】
Molecular Weight:382.36342 [g/mol]
Molecular Formula:C21H18O7
XLogP3-AA:3.2
H-Bond Donor:0
H-Bond Acceptor:7
Rotatable Bond Count:8
Tautomer Count:2
Exact Mass:382.105253
MonoIsotopic Mass:382.105253
Topological Polar Surface Area:88.1
Heavy Atom Count:28
Formal Charge:0
Complexity:600
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Ring Count:3
Effective Rotor Count:8.6
Conformer Sampling RMSD:1
CID Conformer Count:136

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