Cas no 539857-76-6 (null)
null structure
Product Name:null
CAS No:539857-76-6
MF:C7H7NO3
MW:153.135381937027
CID:939439
PubChem ID:11073620
Update Time:2025-04-19
null Chemical and Physical Properties
Names and Identifiers
-
- null
- 6H-1,4-Dioxino[2,3-c]pyrrole-5-carboxaldehyde, 2,3-dihydro- (9CI)
- 539857-76-6
- NIMJHABEMFFTCQ-UHFFFAOYSA-N
- SCHEMBL182373
- 3,6-dihydro-2H-[1,4]dioxino[2,3-c]pyrrole-5-carbaldehyde
- 2-Formyl-3,4-ethylenedioxypyrrole
-
- Inchi： 1S/C7H7NO3/c9-4-5-7-6(3-8-5)10-1-2-11-7/h3-4,8H,1-2H2
- InChI Key： NIMJHABEMFFTCQ-UHFFFAOYSA-N
- SMILES： O1CCOC2=CNC(C=O)=C12
Computed Properties
- Exact Mass: 153.042593085g/mol
- Monoisotopic Mass: 153.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 162
- 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: 0.2
- Topological Polar Surface Area: 51.3?2
null Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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