Cas no 640293-43-2 (1,2-PROPANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (2S)-)
640293-43-2 structure
Product Name:1,2-PROPANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (2S)-
CAS No:640293-43-2
MF:C10H14O4
MW:198.215763568878
CID:3181846
PubChem ID:10750461
Update Time:2025-04-21
1,2-PROPANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (2S)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-PROPANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (2S)-
- DTXSID30444337
- 640293-43-2
-
- Inchi： 1S/C10H14O4/c1-14-10-5-7(2-3-9(10)13)4-8(12)6-11/h2-3,5,8,11-13H,4,6H2,1H3/t8-/m0/s1
- InChI Key： QGFJORGLNPWXMK-QMMMGPOBSA-N
- SMILES： O[C@H](CO)CC1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 198.08920892g/mol
- Monoisotopic Mass: 198.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 162
- 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: -0.1
- Topological Polar Surface Area: 69.9?2
1,2-PROPANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-, (2S)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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