Cas no 77110-34-0 (Pentanone,hydroxymethyl- (9CI))
77110-34-0 structure
Product Name:Pentanone,hydroxymethyl- (9CI)
CAS No:77110-34-0
MF:C6H12O2
MW:116.158282279968
CID:568186
PubChem ID:131744
Update Time:2025-04-19
Pentanone,hydroxymethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentanone,hydroxymethyl- (9CI)
- 4-hydroxymethyl isobutyl ketone
- Hydroxymethylpentanone
- Pentanone, hydroxymethyl-
- SCHEMBL1820883
- EN300-7169447
- DTXSID50998367
- 66930-40-3
- 77110-34-0
- HMIK
- 1-hydroxyhexan-3-one
- 1-hydroxy-3-hexanone
-
- Inchi： 1S/C6H12O2/c1-2-3-6(8)4-5-7/h7H,2-5H2,1H3
- InChI Key： ITHSWIXXHGKFJW-UHFFFAOYSA-N
- SMILES： O=C(CCO)CCC
Computed Properties
- Exact Mass: 116.083729621g/mol
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 68.9
- 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: 0
- Topological Polar Surface Area: 37.3?2
Pentanone,hydroxymethyl- (9CI) Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
77110-34-0 (Pentanone,hydroxymethyl- (9CI)) Related Products
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