Cas no 62123-57-3 (Hexanoic acid, 2-hydroxy-, propyl ester)
62123-57-3 structure
Product Name:Hexanoic acid, 2-hydroxy-, propyl ester
CAS No:62123-57-3
MF:C9H18O3
MW:174.237423419952
CID:457229
PubChem ID:12252855
Update Time:2025-04-19
Hexanoic acid, 2-hydroxy-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-hydroxy-, propyl ester
- propyl 2-hydroxyhexanoate
- 62123-57-3
- SCHEMBL4717732
- DTXSID30482532
-
- Inchi： 1S/C9H18O3/c1-3-5-6-8(10)9(11)12-7-4-2/h8,10H,3-7H2,1-2H3
- InChI Key： HDWQWGVQPXJRHA-UHFFFAOYSA-N
- SMILES： O(CCC)C(C(CCCC)O)=O
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 123
- 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: 2.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Hexanoic acid, 2-hydroxy-, propyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
62123-57-3 (Hexanoic acid, 2-hydroxy-, propyl ester) Related Products
- 87-92-3((2R,3R)-Dibutyl 2,3-dihydroxysuccinate)
- 62563-15-9((2S,3S)-Dibutyl 2,3-dihydroxysuccinate)
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- 13811-71-7(Diethyl D-(-)-Tartrate)
- 7554-12-3(Diethyl DL-Malate)
- 16874-34-3(Ethyl Tetrahydro-2-fuorate)
- 35274-05-6(Cetyl lactate)
- 7554-28-1(Diethyl D-Malate)
- 138-22-7(n-Butyl Lactate)
- 691-84-9(Diethyl L-(-)-Malate)
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