Cas no 52924-53-5 (Benzaldehyde, 4-(acetyloxy)-2-hydroxy-)
52924-53-5 structure
Product Name:Benzaldehyde, 4-(acetyloxy)-2-hydroxy-
CAS No:52924-53-5
MF:C9H8O4
MW:180.157423019409
CID:358459
PubChem ID:12648091
Update Time:2025-04-19
Benzaldehyde, 4-(acetyloxy)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-(acetyloxy)-2-hydroxy-
- (4-formyl-3-hydroxyphenyl) acetate
- 4-(acetyloxy)-2-hydroxybenzaldehyde
- OVACZDCYFSHICJ-UHFFFAOYSA-N
- SCHEMBL3830724
- CHEMBL3786257
- DTXSID00505621
- 52924-53-5
- 4-formyl-3-hydroxyphenyl acetate
-
- Inchi： 1S/C9H8O4/c1-6(11)13-8-3-2-7(5-10)9(12)4-8/h2-5,12H,1H3
- InChI Key： OVACZDCYFSHICJ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(C=O)=C(C=1)O
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 202
- 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: 1.3
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Benzaldehyde, 4-(acetyloxy)-2-hydroxy- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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