Cas no 100019-20-3 (2-Naphthalenecarboxylicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methyl-8-(1-methylethenyl)-,(4aS,5R,8R,8aS)-)
100019-20-3 structure
Product Name:2-Naphthalenecarboxylicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methyl-8-(1-methylethenyl)-,(4aS,5R,8R,8aS)-
CAS No:100019-20-3
MF:C15H22O2
MW:234.333984851837
CID:231756
Update Time:2024-02-29
2-Naphthalenecarboxylicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methyl-8-(1-methylethenyl)-,(4aS,5R,8R,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methyl-8-(1-methylethenyl)-,(4aS,5R,8R,8aS)-
- (4aS)-3,4,4aα,5,6,7,8,8aβ-Octahydro-5α-methyl-8β-isopropenylnaphthalene-2-carboxylic acid
- (+)-Pernetic acid C
- 2-Naphthalenecarboxylicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methyl-8-(1-methylethenyl)-, [4aS-(4aa,5a,8b,8ab)]-
- Pernetic acid C
-
- Inchi： 1S/C15H22O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h8,10,12-14H,1,4-7H2,2-3H3,(H,16,17)/t10-,12+,13+,14+/m1/s1
- InChI Key： JYYWWQXMXXNJSB-SAXRGWBVSA-N
- SMILES： C1[C@]2([H])[C@]([H])([C@H](C)CC[C@H]2C(C)=C)CCC=1C(O)=O
Computed Properties
- Exact Mass: 234.162
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 367
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
2-Naphthalenecarboxylicacid, 3,4,4a,5,6,7,8,8a-octahydro-5-methyl-8-(1-methylethenyl)-,(4aS,5R,8R,8aS)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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