Cas no 307496-21-5 (2-Propen-1-one-2,3-d2,1,3-di(phenyl-d5)- (9CI))
307496-21-5 structure
Product Name:2-Propen-1-one-2,3-d2,1,3-di(phenyl-d5)- (9CI)
CAS No:307496-21-5
MF:C15H12O
MW:220.329124450684
CID:300368
PubChem ID:16213773
Update Time:2025-04-19
2-Propen-1-one-2,3-d2,1,3-di(phenyl-d5)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one-2,3-d2,1,3-di(phenyl-d5)- (9CI)
- (E)-2,3-dideuterio-1,3-bis(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one
- trans-Chalcone-d12,98 atom % d
- (2E)-1,3-Bis[(~2~H_5_)phenyl](~2~H_2_)prop-2-en-1-one
- DTXSID80584111
- 307496-21-5
-
- Inchi： 1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
- InChI Key： DQFBYFPFKXHELB-KVFDGITRSA-N
- SMILES： O=C(/C(/[2H])=C(\[2H])/C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 220.164135953g/mol
- Monoisotopic Mass: 220.164135953g/mol
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Melting Point: 55-57?°C(lit.)
- Boiling Point: 208?°C25?mm Hg(lit.)
- PSA: 17.07000
- LogP: 3.58270
2-Propen-1-one-2,3-d2,1,3-di(phenyl-d5)- (9CI) Related Literature
-
1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
307496-21-5 (2-Propen-1-one-2,3-d2,1,3-di(phenyl-d5)- (9CI)) Related Products
- 614-57-3(1,5-Diphenyl-penta-2,4-dien-1-one)
- 614-47-1(trans-Chalcone)
- 495-45-4(1,3-Diphenyl-2-buten-1-one)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
