Cas no 88594-72-3 (Benzeneacetic acid, 4-(2-oxopropyl)-)
88594-72-3 structure
Product Name:Benzeneacetic acid, 4-(2-oxopropyl)-
CAS No:88594-72-3
MF:C11H12O3
MW:192.211183547974
CID:627595
PubChem ID:22051227
Update Time:2025-04-19
Benzeneacetic acid, 4-(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 4-(2-oxopropyl)-
- 2-[4-(2-oxopropyl)phenyl]acetic acid
- [4-(2-oxopropyl)phenyl]acetic acid
- 88594-72-3
- DTXSID20622026
- SCHEMBL8277240
-
- Inchi： 1S/C11H12O3/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
- InChI Key： LIEZNODWXNSTDB-UHFFFAOYSA-N
- SMILES： O=C(C)CC1C=CC(CC(=O)O)=CC=1
Computed Properties
- Exact Mass: 192.078644241g/mol
- Monoisotopic Mass: 192.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 1.1
- Topological Polar Surface Area: 54.4?2
Benzeneacetic acid, 4-(2-oxopropyl)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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4. 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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
88594-72-3 (Benzeneacetic acid, 4-(2-oxopropyl)-) Related Products
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