Cas no 99801-86-2 (1,1-Butanediol)
1,1-Butanediol structure
Product Name:1,1-Butanediol
CAS No:99801-86-2
MF:C4H10O2
MW:90.1210017204285
CID:750056
PubChem ID:165788
Update Time:2025-04-19
1,1-Butanediol Chemical and Physical Properties
Names and Identifiers
-
- 1,1-Butanediol
- CDQSJQSWAWPGKG-UHFFFAOYSA-N
- 25265-75-2
- starbld0029295
- NS00113659
- butanediol
- UNII-TMS4MGA0H4
- DTXSID7074745
- butane diol
- 99801-86-2
- butane-1,1-diol
- TMS4MGA0H4
-
- Inchi： 1S/C4H10O2/c1-2-3-4(5)6/h4-6H,2-3H2,1H3
- InChI Key： CDQSJQSWAWPGKG-UHFFFAOYSA-N
- SMILES： OC(CCC)O
Computed Properties
- Exact Mass: 90.068079557g/mol
- Monoisotopic Mass: 90.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 26.7
- 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: 0.4
- Topological Polar Surface Area: 40.5?2
1,1-Butanediol Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
99801-86-2 (1,1-Butanediol) Related Products
- 26762-52-7(Hexanediol)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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