Cas no 169229-60-1 (Benzoic acid, 3,4-dihydroxy-5-(phenylmethoxy)-, phenylmethyl ester)
169229-60-1 structure
Product Name:Benzoic acid, 3,4-dihydroxy-5-(phenylmethoxy)-, phenylmethyl ester
CAS No:169229-60-1
MF:C21H18O5
MW:350.364626407623
CID:1350918
Update Time:2024-08-17
Benzoic acid, 3,4-dihydroxy-5-(phenylmethoxy)-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,4-dihydroxy-5-(phenylmethoxy)-, phenylmethyl ester
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- Inchi： 1S/C21H18O5/c22-18-11-17(21(24)26-14-16-9-5-2-6-10-16)12-19(20(18)23)25-13-15-7-3-1-4-8-15/h1-12,22-23H,13-14H2
- InChI Key： WCAOMXLYRDKAAO-UHFFFAOYSA-N
- SMILES： C(OCC1=CC=CC=C1)(=O)C1=CC(OCC2=CC=CC=C2)=C(O)C(O)=C1
Computed Properties
- Exact Mass: 350.11544
Experimental Properties
- Density: 1.299±0.06 g/cm3(Predicted)
- Boiling Point: 577.8±45.0 °C(Predicted)
- PSA: 75.99
- pka: 7.56±0.50(Predicted)
Benzoic acid, 3,4-dihydroxy-5-(phenylmethoxy)-, phenylmethyl ester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
169229-60-1 (Benzoic acid, 3,4-dihydroxy-5-(phenylmethoxy)-, phenylmethyl ester) Related Products
- 2150-38-1(Methyl 3,4-dimethoxybenzoate)
- 1916-07-0(Methyl 3,4,5-trimethoxybenzoate)
- 6178-44-5(Ethyl 3,4,5-Trimethoxybenzoate)
- 17275-82-0(Ethyl 3,5-dimethoxybenzoate)
- 1719-88-6(3,4,5-Trimethoxybenzoic Anhydride)
- 3943-77-9(Ethyl 3,4-dimethoxybenzoate)
- 6702-50-7(Methyl isovanillate)
- 617-05-0(Ethyl vanillate)
- 3943-74-6(Methyl vanillate)
- 179688-14-3(Methyl 3,4-bis(2-methoxyethoxy)benzoate)
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