Cas no 821798-36-1 (Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester)
821798-36-1 structure
Product Name:Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester
CAS No:821798-36-1
MF:C18H20O5
MW:316.348405838013
CID:696377
PubChem ID:71419739
Update Time:2025-04-19
Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester
- (4-methoxyphenyl) 4-(4-hydroxybutoxy)benzoate
- DTXSID60838967
- 821798-36-1
- 4-METHOXYPHENYL 4-(4-HYDROXYBUTOXY)BENZOATE
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- Inchi： 1S/C18H20O5/c1-21-15-8-10-17(11-9-15)23-18(20)14-4-6-16(7-5-14)22-13-3-2-12-19/h4-11,19H,2-3,12-13H2,1H3
- InChI Key： LZSQYKXKMYMTLZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)OC2C=CC(=CC=2)OC)=CC=1)CCCCO
Computed Properties
- Exact Mass: 316.13107373g/mol
- Monoisotopic Mass: 316.13107373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 330
- 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: 3.3
- Topological Polar Surface Area: 65?2
Benzoic acid, 4-(4-hydroxybutoxy)-, 4-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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
821798-36-1 (Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 4906-25-6(Methyl 4-n-butoxybenzoate)
- 2444-19-1(4-Hydroxyphenyl benzoate)
- 62435-37-4(Methyl 4-n-octyloxybenzoate)
- 93-99-2(Phenyl benzoate)
- 1498-96-0(4-Butoxybenzoic acid)
- 28084-48-2(Benzoic acid,4-hydroxy-, 4-hydroxyphenyl ester)
- 28099-28-7(Benzoic acid,4-methoxy-, 4-hydroxyphenyl ester)
- 17696-62-7(Phenyl 4-hydroxybenzoate)
- 1539-04-4(1,4-diphenyl benzene-1,4-dicarboxylate)
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