Cas no 99224-14-3 (2-Tridecanone, 1-hydroxy-)
2-Tridecanone, 1-hydroxy- structure
Product Name:2-Tridecanone, 1-hydroxy-
CAS No:99224-14-3
MF:C13H26O2
MW:214.344344615936
CID:734360
PubChem ID:13423645
Update Time:2025-04-19
2-Tridecanone, 1-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Tridecanone, 1-hydroxy-
- 1-hydroxytridecan-2-one
- QTJBCXUJIXQYNP-UHFFFAOYSA-N
- hydroxyl tridecanone
- SCHEMBL9730057
- DTXSID50540380
- 1-hydroxy-2-tridecanone
- 99224-14-3
-
- Inchi： 1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h14H,2-12H2,1H3
- InChI Key： QTJBCXUJIXQYNP-UHFFFAOYSA-N
- SMILES： O=C(CO)CCCCCCCCCCC
Computed Properties
- Exact Mass: 214.193280068g/mol
- Monoisotopic Mass: 214.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 144
- 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: 4.5
- Topological Polar Surface Area: 37.3?2
2-Tridecanone, 1-hydroxy- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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