Cas no 55306-07-5 (Acrostalic acid)
Acrostalic acid structure
Product Name:Acrostalic acid
CAS No:55306-07-5
MF:C16H24O4
MW:280.359365463257
CID:2027837
PubChem ID:101281322
Update Time:2025-04-21
Acrostalic acid Chemical and Physical Properties
Names and Identifiers
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- Acrostalic acid
- Acrostalinsaeure (acrostalic acid)
- (1S,4aα)-5β-Carboxydecahydro-5,8aβ-dimethyl-2-methylene-1-naphthaleneacetic acid
- (1S,4aR,5S,8aR)-5-(carboxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- CHEBI:227849
- (1S,4AS,5S,8ar)-5-(carboxymethyl)-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylate
- 55306-07-5
-
- Inchi： 1S/C16H24O4/c1-10-5-6-12-15(2,11(10)9-13(17)18)7-4-8-16(12,3)14(19)20/h11-12H,1,4-9H2,2-3H3,(H,17,18)(H,19,20)
- InChI Key： PWMWTNKJRHUMOB-UHFFFAOYSA-N
- SMILES： CC12C(CC(=O)O)C(=C)CCC1C(C(=O)O)(C)CCC2
Computed Properties
- Exact Mass: 280.16745924Da
- Monoisotopic Mass: 280.16745924Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 455
- 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
- XLogP3: 3.244
- Topological Polar Surface Area: 74.6?2
Acrostalic acid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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