Cas no 897948-81-1 (Benzoic acid, 3-methoxy-5-(3-methoxypropoxy)-, methyl ester)
897948-81-1 structure
Product Name:Benzoic acid, 3-methoxy-5-(3-methoxypropoxy)-, methyl ester
CAS No:897948-81-1
MF:C13H18O5
MW:254.279024600983
CID:588968
PubChem ID:59817706
Update Time:2025-04-19
Benzoic acid, 3-methoxy-5-(3-methoxypropoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-methoxy-5-(3-methoxypropoxy)-, methyl ester
- methyl 3-methoxy-5-(3-methoxypropoxy)benzoate
- PXQJALHUUZYJGD-UHFFFAOYSA-N
- 3-methoxy-5-(3-methoxy-propoxy)-benzoic acid methyl ester
- DTXSID30733071
- 897948-81-1
- SCHEMBL89596
-
- Inchi： 1S/C13H18O5/c1-15-5-4-6-18-12-8-10(13(14)17-3)7-11(9-12)16-2/h7-9H,4-6H2,1-3H3
- InChI Key： PXQJALHUUZYJGD-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=C(C(=O)OC)C=1)OC)CCCOC
Computed Properties
- Exact Mass: 254.11542367g/mol
- Monoisotopic Mass: 254.11542367g/mol
- 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: 1.9
- Topological Polar Surface Area: 54?2
Benzoic acid, 3-methoxy-5-(3-methoxypropoxy)-, methyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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
897948-81-1 (Benzoic acid, 3-methoxy-5-(3-methoxypropoxy)-, methyl ester) Related Products
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