Cas no 1970-82-7 (methyl 16-hydroxypimar-7-en-18-oate)
1970-82-7 structure
Product Name:methyl 16-hydroxypimar-7-en-18-oate
methyl 16-hydroxypimar-7-en-18-oate Chemical and Physical Properties
Names and Identifiers
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- methyl 16-hydroxypimar-7-en-18-oate
- DTXSID90941458
- NSC-149547
- 1970-82-7
- NSC149547
-
- Inchi： 1S/C21H34O3/c1-19(12-13-22)11-8-16-15(14-19)6-7-17-20(16,2)9-5-10-21(17,3)18(23)24-4/h6,16-17,22H,5,7-14H2,1-4H3
- InChI Key： BVKYAVFHOJKFIL-UHFFFAOYSA-N
- SMILES： O(C)C(C1(C)CCCC2(C)C3CCC(C)(CCO)CC3=CCC21)=O
Computed Properties
- Exact Mass: 334.25092
- Monoisotopic Mass: 334.251
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 539
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.06
- Boiling Point: 425°C at 760 mmHg
- Flash Point: 162.2°C
- Refractive Index: 1.525
- PSA: 46.53
- LogP: 4.49100
methyl 16-hydroxypimar-7-en-18-oate Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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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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