Cas no 107841-11-2 (1-hydroxynonan-4-one)
1-hydroxynonan-4-one structure
Product Name:1-hydroxynonan-4-one
CAS No:107841-11-2
MF:C9H18O2
MW:158.238023281097
CID:1184423
PubChem ID:13601004
Update Time:2025-04-20
1-hydroxynonan-4-one Chemical and Physical Properties
Names and Identifiers
-
- 1-hydroxynonan-4-one
- DTXSID70544769
- SCHEMBL2533967
- 107841-11-2
-
- Inchi： 1S/C9H18O2/c1-2-3-4-6-9(11)7-5-8-10/h10H,2-8H2,1H3
- InChI Key： DSRRWSQXJRQZMJ-UHFFFAOYSA-N
- SMILES： O=C(CCCO)CCCCC
Computed Properties
- Exact Mass: 158.13074
- Monoisotopic Mass: 158.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 99.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1-hydroxynonan-4-one Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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