Cas no 80003-86-7 (Benzoic acid, 3,4-dihydroxy-, phenylmethyl ester)
80003-86-7 structure
Product Name:Benzoic acid, 3,4-dihydroxy-, phenylmethyl ester
CAS No:80003-86-7
MF:C14H12O4
MW:244.242684364319
CID:706493
PubChem ID:16656541
Update Time:2025-04-19
Benzoic acid, 3,4-dihydroxy-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,4-dihydroxy-, phenylmethyl ester
- benzyl 3,4-dihydroxybenzoate
- SCHEMBL537056
- DTXSID00586531
- 80003-86-7
- Oprea1_484072
- WOLNKQJMEVXQKB-UHFFFAOYSA-N
-
- Inchi： 1S/C14H12O4/c15-12-7-6-11(8-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2
- InChI Key： WOLNKQJMEVXQKB-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=C(C=1)O)O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 244.07355886g/mol
- Monoisotopic Mass: 244.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 273
- 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: 3
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 3,4-dihydroxy-, phenylmethyl ester Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
80003-86-7 (Benzoic acid, 3,4-dihydroxy-, phenylmethyl ester) Related Products
- 2150-43-8(Methyl 3,4-dihydroxybenzoate)
- 94-18-8(Benzyl 4-\u200bHydroxybenzoate(Benzyl Paraben))
- 120-47-8(Ethylparaben)
- 121-79-9(Propyl gallate)
- 617-05-0(Ethyl vanillate)
- 3943-89-3(Ethyl 3,4-dihydroxybenzoate)
- 7781-98-8(Ethyl 3-hydroxybenzoate)
- 9001-05-2(Catalase)
- 831-61-8(Ethyl gallate)
- 99-24-1(Methyl gallate)
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