Cas no 62024-96-8 (1,6-Cyclononadiene-1-carboxylic acid, methyl ester)
62024-96-8 structure
Product Name:1,6-Cyclononadiene-1-carboxylic acid, methyl ester
CAS No:62024-96-8
MF:C11H16O2
MW:180.243543624878
CID:460373
PubChem ID:71390568
Update Time:2025-04-19
1,6-Cyclononadiene-1-carboxylic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Cyclononadiene-1-carboxylic acid, methyl ester
- methyl cyclonona-1,6-diene-1-carboxylate
- DTXSID70812470
- 62024-96-8
-
- Inchi： 1S/C11H16O2/c1-13-11(12)10-8-6-4-2-3-5-7-9-10/h2,4,9H,3,5-8H2,1H3
- InChI Key： WXWAXETYPNUWOB-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CCCCC=CCC1)=O
Computed Properties
- Exact Mass: 180.11508
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1,6-Cyclononadiene-1-carboxylic acid, methyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
62024-96-8 (1,6-Cyclononadiene-1-carboxylic acid, methyl ester) Related Products
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