Cas no 6917-69-7 (10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid)
6917-69-7 structure
Product Name:10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid
CAS No:6917-69-7
MF:C20H28O3
MW:316.434526443481
CID:1733444
PubChem ID:5253705
Update Time:2024-03-01
10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid
- AGN-PC-0892H2
- 6917-69-7
- DTXSID10413501
-
- Inchi： 1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)
- InChI Key： ZCTUNYRXJKLWPY-UHFFFAOYSA-N
- SMILES： O=CC1C2C(C(=O)O)(C)CCCC2(C)C2CCC3C(=C)CC21C3
Computed Properties
- Exact Mass: 316.204
- Monoisotopic Mass: 316.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 596
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.4A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1.16
- Boiling Point: 454.7°C at 760 mmHg
- Flash Point: 242.9°C
- Refractive Index: 1.558
10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid Related Literature
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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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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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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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