Cas no 61659-08-3 (Cyclopentanecarboxaldehyde, 3-oxo-2-(phenylmethyl)-)
61659-08-3 structure
Product Name:Cyclopentanecarboxaldehyde, 3-oxo-2-(phenylmethyl)-
CAS No:61659-08-3
MF:C13H14O2
MW:202.249063968658
CID:471023
PubChem ID:20369499
Update Time:2025-04-19
Cyclopentanecarboxaldehyde, 3-oxo-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxaldehyde, 3-oxo-2-(phenylmethyl)-
- 2-benzyl-3-oxocyclopentane-1-carbaldehyde
- SCHEMBL11608778
- DTXSID50606258
- 61659-08-3
-
- Inchi： 1S/C13H14O2/c14-9-11-6-7-13(15)12(11)8-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2
- InChI Key： HCXNTCLLVGFZSI-UHFFFAOYSA-N
- SMILES： O=C1CCC(C=O)C1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 202.09942
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 241
- 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: 1.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclopentanecarboxaldehyde, 3-oxo-2-(phenylmethyl)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
61659-08-3 (Cyclopentanecarboxaldehyde, 3-oxo-2-(phenylmethyl)-) Related Products
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 1134-87-8(3-Benzyl-2,4-pentanedione)
- 1198-34-1(2-phenylcyclopentan-1-one)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 14996-78-2(2-phenylcycloheptan-1-one)
- 2867-63-2(2-benzylcyclopentan-1-one)
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