Cas no 16298-46-7 (3-Cyclohexene-1-carboxylicacid, 6-formyl-2-methyl-, cis,trans- (8CI))
16298-46-7 structure
Product Name:3-Cyclohexene-1-carboxylicacid, 6-formyl-2-methyl-, cis,trans- (8CI)
CAS No:16298-46-7
MF:C9H12O3
MW:168.189783096313
CID:98607
PubChem ID:131849189
Update Time:2025-04-18
3-Cyclohexene-1-carboxylicacid, 6-formyl-2-methyl-, cis,trans- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylicacid, 6-formyl-2-methyl-, cis,trans- (8CI)
- DTXSID601174484
- 16298-46-7
- 3-Cyclohexene-1-carboxylic acid, 6-formyl-2-methyl-, cis,trans-
-
- Inchi： 1S/C9H12O3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)
- InChI Key： AMPNPSSFZDICQI-UHFFFAOYSA-N
- SMILES： OC(C1C(C)C=CCC1C=O)=O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.4A^2
- XLogP3: 0.7
Experimental Properties
- PSA: 54.37
3-Cyclohexene-1-carboxylicacid, 6-formyl-2-methyl-, cis,trans- (8CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
16298-46-7 (3-Cyclohexene-1-carboxylicacid, 6-formyl-2-methyl-, cis,trans- (8CI)) Related Products
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