Cas no 63751-10-0 (1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-)
63751-10-0 structure
Product Name:1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
CAS No:63751-10-0
MF:C12H17NO4
MW:239.267683744431
CID:425815
PubChem ID:586721
Update Time:2025-04-19
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
- 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid
- DTXSID90343019
- 6-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid #
- LQRDWDFBWXZAOS-UHFFFAOYSA-N
- 63751-10-0
- SCHEMBL8890672
- Hexanoic acid, 6-(3,4-dimethyl-2,5-dioxo-3-pyrrolin-1-yl)-
- AKOS006181982
-
- Inchi： 1S/C12H17NO4/c1-8-9(2)12(17)13(11(8)16)7-5-3-4-6-10(14)15/h3-7H2,1-2H3,(H,14,15)
- InChI Key： LQRDWDFBWXZAOS-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(C)C(N1CCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 239.11581
- Monoisotopic Mass: 239.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 74.7?2
Experimental Properties
- PSA: 74.68
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
63751-10-0 (1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-) Related Products
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