Cas no 127869-52-7 (2,4-Pentanedione,3-(hydroxymethyl)-)
127869-52-7 structure
Product Name:2,4-Pentanedione,3-(hydroxymethyl)-
CAS No:127869-52-7
MF:C6H10O3
MW:130.141802310944
CID:103075
PubChem ID:21422016
Update Time:2025-04-18
2,4-Pentanedione,3-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentanedione,3-(hydroxymethyl)-
- 2,4-Pentanedione, 3-(hydroxymethyl)- (9CI)
- 3-(Hydroxymethyl)-2,4-pentanedione
- 3-(hydroxymethyl)pentane-2,4-dione
- DTXSID501297548
- SCHEMBL9405813
- 127869-52-7
-
- Inchi： 1S/C6H10O3/c1-4(8)6(3-7)5(2)9/h6-7H,3H2,1-2H3
- InChI Key： ZXRQBQKGHWBGDN-UHFFFAOYSA-N
- SMILES： OCC(C(C)=O)C(C)=O
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 114
- 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: -0.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
2,4-Pentanedione,3-(hydroxymethyl)- Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
127869-52-7 (2,4-Pentanedione,3-(hydroxymethyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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