Cas no 112778-17-3 (7-(3-methoxyphenyl)heptane-1,4-diol)
112778-17-3 structure
Product Name:7-(3-methoxyphenyl)heptane-1,4-diol
CAS No:112778-17-3
MF:C14H22O3
MW:238.322684764862
CID:2609518
PubChem ID:13869097
Update Time:2025-04-21
7-(3-methoxyphenyl)heptane-1,4-diol Chemical and Physical Properties
Names and Identifiers
-
- 7-(3-methoxyphenyl)heptane-1,4-diol
- 112778-17-3
- DTXSID50551597
-
- Inchi： 1S/C14H22O3/c1-17-14-9-3-6-12(11-14)5-2-7-13(16)8-4-10-15/h3,6,9,11,13,15-16H,2,4-5,7-8,10H2,1H3
- InChI Key： OSHIOLQILCWFQS-UHFFFAOYSA-N
- SMILES： OC(CCCO)CCCC1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 238.15689456Da
- Monoisotopic Mass: 238.15689456Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 49.7?2
7-(3-methoxyphenyl)heptane-1,4-diol Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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
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