Cas no 9036-70-8 (25212-19-5)
25212-19-5 structure
Product Name:25212-19-5
CAS No:9036-70-8
MF:C15H20O5
MW:280.316305160522
CID:805989
PubChem ID:124361
Update Time:2025-04-19
25212-19-5 Chemical and Physical Properties
Names and Identifiers
-
- N-(2-aminoethyl)ethane-1,2-diamine: 2-(chloromethyl)oxirane: hexanedio ic acid
- Spiro(2-benzoxepin-9(3H),2'-oxirane)-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-
- (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
- 6H8EDV2NKQ
- SCHEMBL15726843
- Avocettin
- BRN 5091359
- UNII-6H8EDV2NKQ
- DTXSID00920436
- Spiro(1H-2-benzoxepin-9,2'-oxirane)-4-carboxylic acid, 3,5a,6,7,8,9a-hexahydro-6-isopropyl-1-oxo-
- 57710-57-3
- 1-Oxo-6-(propan-2-yl)-1,5a,6,7,8,9a-hexahydro-3H-spiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
- 9036-70-8
- 25212-19-5
-
- Inchi： 1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10?,11-,12-,15-/m1/s1
- InChI Key： JESMSCGUTIEROV-NOFREYILSA-N
- SMILES： O1C[C@]21CCC(C(C)C)[C@H]1C=C(C(=O)O)COC([C@H]21)=O
Computed Properties
- Exact Mass: 341.171749
- Monoisotopic Mass: 341.171749
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 10
- Complexity: 178
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 151
- XLogP3: 1.4
Experimental Properties
- Boiling Point: 338.5°Cat760mmHg
- Flash Point: 172.7°C
25212-19-5 Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
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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