Cas no 57079-00-2 (1H-Pyrrole-1-octanoicacid, 2,5-dihydro-2,5-dioxo-)
57079-00-2 structure
Product Name:1H-Pyrrole-1-octanoicacid, 2,5-dihydro-2,5-dioxo-
CAS No:57079-00-2
MF:C12H17NO4
MW:239.267683744431
CID:376249
PubChem ID:92656
Update Time:2025-04-19
1H-Pyrrole-1-octanoicacid, 2,5-dihydro-2,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-octanoicacid, 2,5-dihydro-2,5-dioxo-
- 8-(2,5-dioxopyrrol-1-yl)octanoic acid
- N-(carboxyheptyl)maleimide
- 8-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)octanoic acid
- 8-(2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-octanoic acid
- 8-(N-maleimido)caprylic acid
- AC1L3OK4
- AC1Q6CQ3
- AR-1H3983
- CHEBI:170327
- CHEMBL47644
- CTK1H2886
- SureCN1574552
- BDBM50471018
- SCHEMBL1574552
- DTXSID90205688
- 57079-00-2
-
- Inchi： 1S/C12H17NO4/c14-10-7-8-11(15)13(10)9-5-3-1-2-4-6-12(16)17/h7-8H,1-6,9H2,(H,16,17)
- InChI Key： QQBCAPJSHSNYLE-UHFFFAOYSA-N
- SMILES： O=C1C=CC(N1CCCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 239.11600
- Monoisotopic Mass: 239.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 317
- 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: 2
- Topological Polar Surface Area: 74.7?2
Experimental Properties
- Density: 1.212
- Boiling Point: 424.6°Cat760mmHg
- Flash Point: 210.6°C
- Refractive Index: 1.526
- PSA: 74.68000
- LogP: 1.27450
1H-Pyrrole-1-octanoicacid, 2,5-dihydro-2,5-dioxo- Related Literature
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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