Cas no 1173022-25-7 (2-acetyloxybenzoic acid)
2-acetyloxybenzoic acid structure
Product Name:2-acetyloxybenzoic acid
CAS No:1173022-25-7
MF:C9H8O4
MW:181.150077819824
CID:2615304
PubChem ID:71309054
Update Time:2025-04-21
2-acetyloxybenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-acetyloxybenzoic acid
- Acetylsalicylic acid-alpha-13C, 99 atom % 13C
- DTXCID30696490
- 2-(Acetyloxy)(carboxy-~13~C)benzoic acid
- DTXSID40745746
- 1173022-25-7
-
- Inchi： 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i9+1
- InChI Key： BSYNRYMUTXBXSQ-QBZHADDCSA-N
- SMILES： O(C(C)=O)C1C=CC=CC=1[13C](=O)O
Computed Properties
- Exact Mass: 181.04561357Da
- Monoisotopic Mass: 181.04561357Da
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 212
- 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: 1.2
- Topological Polar Surface Area: 63.6?2
2-acetyloxybenzoic acid Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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