Cas no 3420-38-0 ( )
structure
Product Name:
CAS No:3420-38-0
MF:C16H14O2
MW:238.281164646149
CID:918838
PubChem ID:296672
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-phenyl-2-(3-phenyloxiran-2-yl)ethanone
- 1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-
- AC1NQ3PP
- AG-L-65426
- CTK0E5186
- CTK8F9214
- Dihydrovitamin K1
- trans-1,4-Dihydro-vitamin K1(20)
- trans-1,4-Diphenyl-2-buten-1,4-diol
- trans-1,4-Diphenyl-3,4-epoxy-butan-1-on
- 93022-04-9
- NSC-167120
- 1-Phenyl-2-(3-phenyloxiran-2-yl)ethan-1-one
- NSC-167132
- NSC167132
- 3420-38-0
- NSC167120
- DTXSID40918776
-
-
- Inchi: 1S/C16H14O2/c17-14(12-7-3-1-4-8-12)11-15-16(18-15)13-9-5-2-6-10-13/h1-10,15-16H,11H2
- InChI Key: FUDUKKLZSWAAEW-UHFFFAOYSA-N
- SMILES: O1C(C2C=CC=CC=2)C1CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 238.09942
- Monoisotopic Mass: 238.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 288
- 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: 2.8
- Topological Polar Surface Area: 29.6?2
Experimental Properties
- PSA: 29.6
- LogP: 3.39950
Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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