Cas no 6232-90-2 ( )
structure
Product Name:
CAS No:6232-90-2
MF:C6H7BrO4
MW:223.021381616592
CID:956500
PubChem ID:5883454
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-bromoethoxy)-4-oxobut-2-enoic acid
- 6232-90-2
- NSC-158547
- 2-BROMOETHYL MALEATE
- SCHEMBL11868470
- NSC158547
- AKOS024333813
-
-
- Inchi： 1S/C6H7BrO4/c7-3-4-11-6(10)2-1-5(8)9/h1-2H,3-4H2,(H,8,9)/b2-1+
- InChI Key： ZPENTQAREZKMMV-OWOJBTEDSA-N
- SMILES： BrCCOC(/C=C/C(=O)O)=O
Computed Properties
- Exact Mass: 221.95271
- Monoisotopic Mass: 221.95277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 175
- 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: 0.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
- LogP: 0.56530
Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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