Cas no 182362-60-3 (3,6-Heptadien-2-one,4-methyl-, (E)- (9CI))
182362-60-3 structure
Product Name:3,6-Heptadien-2-one,4-methyl-, (E)- (9CI)
CAS No:182362-60-3
MF:C8H12O
MW:124.180282592773
CID:113847
PubChem ID:45085170
Update Time:2025-04-18
3,6-Heptadien-2-one,4-methyl-, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Heptadien-2-one,4-methyl-, (E)- (9CI)
- 3,6-Heptadien-2-one,4-methyl-,(E)-(9ci)
- 182362-60-3
- 3,6-Heptadien-2-one, 4-methyl-, (E)- (9CI)
-
- Inchi： 1S/C8H12O/c1-4-5-7(2)6-8(3)9/h4,6H,1,5H2,2-3H3/b7-6+
- InChI Key： DAJDVEKGELIWBV-VOTSOKGWSA-N
- SMILES： O=C(C)/C=C(\C)/CC=C
Computed Properties
- Exact Mass: 124.08886
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3,6-Heptadien-2-one,4-methyl-, (E)- (9CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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