Cas no 100644-89-1 (Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester)
100644-89-1 structure
Product Name:Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester
CAS No:100644-89-1
MF:C16H14O6
MW:302.278765201569
CID:1126142
PubChem ID:15098591
Update Time:2025-04-20
Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester
- (4-formyl-2-methoxyphenyl) 4-hydroxy-3-methoxybenzoate
- 4ECR7902HK
- 4-Formyl-2-methoxyphenyl 4-hydroxy-3-methoxybenzoate
- 100644-89-1
- vanillin vanillate
- SCHEMBL2846169
- Q27259487
- Vanillin-Vanillat
- DTXSID90568164
- UNII-4ECR7902HK
-
- Inchi： 1S/C16H14O6/c1-20-14-8-11(4-5-12(14)18)16(19)22-13-6-3-10(9-17)7-15(13)21-2/h3-9,18H,1-2H3
- InChI Key： NJJAAEQSAYYXBL-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=C(C=1)OC)O)=O)C1C=CC(C=O)=CC=1OC
Computed Properties
- Exact Mass: 302.07902
- Monoisotopic Mass: 302.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 385
- 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: 2.4
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- PSA: 82.06
Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
100644-89-1 (Benzoic acid, 4-hydroxy-3-methoxy-, 4-formyl-2-methoxyphenyl ester) Related Products
- 2150-38-1(Methyl 3,4-dimethoxybenzoate)
- 744-45-6(Diphenyl isophthalate)
- 1916-07-0(Methyl 3,4,5-trimethoxybenzoate)
- 5409-31-4(3,4-Diethoxybenzoic acid)
- 93-99-2(Phenyl benzoate)
- 72207-94-4(Ethylvanillin acetate)
- 6702-50-7(Methyl isovanillate)
- 617-05-0(Ethyl vanillate)
- 881-68-5(Vanillin acetate)
- 3943-74-6(Methyl vanillate)
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