Cas no 37902-41-3 (2-Heptanone, 5-hydroxy-)
2-Heptanone, 5-hydroxy- structure
Product Name:2-Heptanone, 5-hydroxy-
CAS No:37902-41-3
MF:C7H14O2
MW:130.184862613678
CID:292322
PubChem ID:54086231
Update Time:2025-04-19
2-Heptanone, 5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone, 5-hydroxy-
- 5-hydroxyheptan-2-one
- 5-hydroxy-2-heptanone
- AKOS017978017
- 37902-41-3
- SCHEMBL9507578
- DTXSID80708931
-
- Inchi： 1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h7,9H,3-5H2,1-2H3
- InChI Key： MQRALIJAASQPNT-UHFFFAOYSA-N
- SMILES： OC(CC)CCC(C)=O
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 88.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Heptanone, 5-hydroxy- Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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