Cas no 170209-34-4 (1,2-Octanediol, 2-methyl-, (2R)-)
170209-34-4 structure
Product Name:1,2-Octanediol, 2-methyl-, (2R)-
CAS No:170209-34-4
MF:C9H20O2
MW:160.253903388977
CID:2781768
PubChem ID:12124013
Update Time:2025-04-21
1,2-Octanediol, 2-methyl-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 170209-34-4
- 1,2-Octanediol, 2-methyl-, (2R)-
- DTXCID70428853
- DTXSID00478043
-
- Inchi： 1S/C9H20O2/c1-3-4-5-6-7-9(2,11)8-10/h10-11H,3-8H2,1-2H3/t9-/m1/s1
- InChI Key： MJGRMZVPQKMBKC-SECBINFHSA-N
- SMILES： O[C@@](C)(CO)CCCCCC
Computed Properties
- Exact Mass: 160.146329876Da
- Monoisotopic Mass: 160.146329876Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 93.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 40.5?2
1,2-Octanediol, 2-methyl-, (2R)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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