Cas no 68512-10-7 ((2E)-4-(hexyloxy)-4-oxobut-2-enoic acid)
68512-10-7 structure
Product Name:(2E)-4-(hexyloxy)-4-oxobut-2-enoic acid
CAS No:68512-10-7
MF:C10H16O4
MW:200.231643676758
CID:1728426
PubChem ID:5816396
Update Time:2025-04-21
(2E)-4-(hexyloxy)-4-oxobut-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2E)-4-(hexyloxy)-4-oxobut-2-enoic acid
- (E)-4-hexoxy-4-oxobut-2-enoic acid
- (2E)-4-(HEXYLOXY)-4-OXO-2-BUTENOIC ACID
- RNERBJNDXXEXTK-VOTSOKGWSA-N
- BDBM50342421
- CHEMBL1771642
- 68512-10-7
- SCHEMBL981514
- SCHEMBL1419926
-
- Inchi： 1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6+
- InChI Key： RNERBJNDXXEXTK-VOTSOKGWSA-N
- SMILES： O(C(/C=C/C(=O)O)=O)CCCCCC
Computed Properties
- Exact Mass: 200.10488
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 208
- 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: 2.2
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
(2E)-4-(hexyloxy)-4-oxobut-2-enoic acid Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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