Cas no 62377-17-7 (Benzoic acid, 2-(chlorocarbonyl)-, propyl ester)
62377-17-7 structure
Product Name:Benzoic acid, 2-(chlorocarbonyl)-, propyl ester
CAS No:62377-17-7
MF:C11H11ClO3
MW:226.656242609024
CID:447261
PubChem ID:13115473
Update Time:2025-04-19
Benzoic acid, 2-(chlorocarbonyl)-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(chlorocarbonyl)-, propyl ester
- propyl 2-carbonochloridoylbenzoate
- DTXSID10519178
- 62377-17-7
- Propyl 2-(chlorocarbonyl)benzoate
-
- Inchi： 1S/C11H11ClO3/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h3-6H,2,7H2,1H3
- InChI Key： SBBXOVAOKWQAGE-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1C(=O)OCCC)=O
Computed Properties
- Exact Mass: 226.03973
- Monoisotopic Mass: 226.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 240
- 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: 4.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 2-(chlorocarbonyl)-, propyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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