Cas no 895240-49-0 (Benzoic acid, 4-methoxy-3-(3-methoxypropoxy)-, methyl ester)
895240-49-0 structure
Product Name:Benzoic acid, 4-methoxy-3-(3-methoxypropoxy)-, methyl ester
CAS No:895240-49-0
MF:C13H18O5
MW:254.279024600983
CID:1942227
PubChem ID:57791081
Update Time:2025-04-21
Benzoic acid, 4-methoxy-3-(3-methoxypropoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methoxy-3-(3-methoxypropoxy)-, methyl ester
- Methyl 4-methoxy-3-(3-methoxypropoxy)benzoate
- SCHEMBL56262
- SBPRKAHKBBKLMI-UHFFFAOYSA-N
- DB-334638
- 895240-49-0
- 4-Methoxy-3-(3-methoxy-propoxy)-benzoic acid methyl ester
-
- Inchi： 1S/C13H18O5/c1-15-7-4-8-18-12-9-10(13(14)17-3)5-6-11(12)16-2/h5-6,9H,4,7-8H2,1-3H3
- InChI Key： SBPRKAHKBBKLMI-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)OC)C=CC=1OC)CCCOC
Computed Properties
- Exact Mass: 254.11542367Da
- Monoisotopic Mass: 254.11542367Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 244
- 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: 2.1
- Topological Polar Surface Area: 54?2
Benzoic acid, 4-methoxy-3-(3-methoxypropoxy)-, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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
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