Cas no 137267-36-8 (Pentanoic acid, 3-bromo-2-oxo-, methyl ester)
137267-36-8 structure
Product Name:Pentanoic acid, 3-bromo-2-oxo-, methyl ester
CAS No:137267-36-8
MF:C6H9BrO3
MW:209.037861585617
CID:1251503
PubChem ID:15093942
Update Time:2025-04-20
Pentanoic acid, 3-bromo-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 3-bromo-2-oxo-, methyl ester
- Methyl 3-bromo-2-oxopentanoate
- SCHEMBL15110273
- 137267-36-8
- Methyl3-bromo-2-oxopentanoate
-
- Inchi： 1S/C6H9BrO3/c1-3-4(7)5(8)6(9)10-2/h4H,3H2,1-2H3
- InChI Key： IIPWPHRHDCHRQQ-UHFFFAOYSA-N
- SMILES： BrC(C(C(=O)OC)=O)CC
Computed Properties
- Exact Mass: 207.97351g/mol
- Monoisotopic Mass: 207.97351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 144
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 43.4?2
Pentanoic acid, 3-bromo-2-oxo-, methyl ester Related Literature
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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
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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