Cas no 54965-55-8 (Benzenepropanoic acid, 4-(acetyloxy)-, methyl ester)
54965-55-8 structure
Product Name:Benzenepropanoic acid, 4-(acetyloxy)-, methyl ester
CAS No:54965-55-8
MF:C12H14O4
MW:222.237164020538
CID:353192
PubChem ID:572440
Update Time:2025-04-19
Benzenepropanoic acid, 4-(acetyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, 4-(acetyloxy)-, methyl ester
- 4-(Acetyloxy)benzenepropanoic acid methyl ester
- methyl 3-(4-acetyloxyphenyl)propanoate
- DTXSID80341347
- Methyl 3-[4-(acetyloxy)phenyl]propanoate #
- UOCVMKKUMXGHFF-UHFFFAOYSA-N
- 54965-55-8
-
- Inchi： 1S/C12H14O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-4,6-7H,5,8H2,1-2H3
- InChI Key： UOCVMKKUMXGHFF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(=CC=1)CCC(=O)OC
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 241
- 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: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Benzenepropanoic acid, 4-(acetyloxy)-, methyl ester Related Literature
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
54965-55-8 (Benzenepropanoic acid, 4-(acetyloxy)-, methyl ester) Related Products
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- 22767-72-2(Ethyl 3-(4-methoxyphenyl)propanoate)
- 15823-04-8(Methyl 3-(4-methoxyphenyl)propanoate)
- 3243-40-1(3-(4-propoxyphenyl)propanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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