Cas no 629659-95-6 (PROPANOIC ACID, 3-BROMO-2-OXO-, PROPYL ESTER)
629659-95-6 structure
Product Name:PROPANOIC ACID, 3-BROMO-2-OXO-, PROPYL ESTER
CAS No:629659-95-6
MF:C6H9BrO3
MW:209.037861585617
CID:3513029
PubChem ID:11513992
Update Time:2025-04-21
PROPANOIC ACID, 3-BROMO-2-OXO-, PROPYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- PROPANOIC ACID, 3-BROMO-2-OXO-, PROPYL ESTER
- propyl bromopyruvate
- n-propyl 3-bromopyruvate
- DB-173236
- SCHEMBL274916
- 3-bromo-2-oxopropionate-1-propyl ester
- KVEZNWYEYNDLSN-UHFFFAOYSA-N
- propyl 3-bromo-2-oxopropanoate
- 629659-95-6
-
- Inchi： 1S/C6H9BrO3/c1-2-3-10-6(9)5(8)4-7/h2-4H2,1H3
- InChI Key： KVEZNWYEYNDLSN-UHFFFAOYSA-N
- SMILES： C(OCCC)(=O)C(=O)CBr
Computed Properties
- Exact Mass: 207.97351Da
- Monoisotopic Mass: 207.97351Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 133
- 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: 1.7
- Topological Polar Surface Area: 43.4?2
PROPANOIC ACID, 3-BROMO-2-OXO-, PROPYL ESTER Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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