Cas no 82389-32-0 (Methanone, (2R,3R)-2,3-oxiranediylbis[phenyl-, rel- (9CI))
82389-32-0 structure
Product Name:Methanone, (2R,3R)-2,3-oxiranediylbis[phenyl-, rel- (9CI)
CAS No:82389-32-0
MF:C16H12O3
MW:252.264684677124
CID:733879
PubChem ID:20502
Update Time:2025-04-19
Methanone, (2R,3R)-2,3-oxiranediylbis[phenyl-, rel- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- NSC 220062
- 4440-98-6
- SCHEMBL10942440
- WLN: T3OTJ BVR& CVR
- SMR001526933
- 1, 1,4-diphenyl-2,3-epoxy-
- Methanone,3-oxiranediylbis[phenyl-
- NSC220062
- NSC 39792
- 2,3-Dibenzoyloxirane
- NSC-220062
- NSC-39792
- DTXSID30963215
- AI3-51314
- 82389-32-0
- MLS002608182
- 1,3-epoxy-1,4-butanedione
- 1,4-BUTANEDIONE, 1,4-DIPHENYL-2,3-EPOXY-
- 1,4-Diphenyl-2,3-epoxy-1,4-butanedione
- HMS3078H14
- NSC39792
- CHEMBL1718221
- (Oxirane-2,3-diyl)bis(phenylmethanone)
- Methanone, 2,3-oxiranediylbis(phenyl-
- Methanone, (2R,3R)-2,3-oxiranediylbis[phenyl-, rel- (9CI)
-
- Inchi： 1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H
- InChI Key： ADFLDJCSCJHDEY-UHFFFAOYSA-N
- SMILES： O1C(C(C2C=CC=CC=2)=O)C1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 252.078644241g/mol
- Monoisotopic Mass: 252.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 46.7?2
Experimental Properties
- Density: 1.272±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 129-130 oC (ethyl acetate )
- Solubility: Almost insoluble (0.063 g/l) (25 o C),
Methanone, (2R,3R)-2,3-oxiranediylbis[phenyl-, rel- (9CI) Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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