Cas no 100059-65-2 (Benzoic acid, 4-(3-hydroxypropoxy)-3-methoxy-)
100059-65-2 structure
Product Name:Benzoic acid, 4-(3-hydroxypropoxy)-3-methoxy-
CAS No:100059-65-2
MF:C11H14O5
MW:226.225863933563
CID:1124318
PubChem ID:10561191
Update Time:2025-04-20
Benzoic acid, 4-(3-hydroxypropoxy)-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(3-hydroxypropoxy)-3-methoxy-
- 4-(3-Hydroxy-propoxy)-3-methoxy-benzoic acid
- DB-105939
- NXPNOQJRJNEUQE-UHFFFAOYSA-N
- 100059-65-2
- SCHEMBL620892
- 4-(3-hydroxypropoxy)-3-methoxybenzoic acid
-
- Inchi： 1S/C11H14O5/c1-15-10-7-8(11(13)14)3-4-9(10)16-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3,(H,13,14)
- InChI Key： NXPNOQJRJNEUQE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1OC)CCCO
Computed Properties
- Exact Mass: 226.084124g/mol
- Monoisotopic Mass: 226.084124g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 218
- 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
- Molecular Weight: 226.23g/mol
- XLogP3: 1.3
- Topological Polar Surface Area: 76?2
Benzoic acid, 4-(3-hydroxypropoxy)-3-methoxy- Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
100059-65-2 (Benzoic acid, 4-(3-hydroxypropoxy)-3-methoxy-) Related Products
- 5409-31-4(3,4-Diethoxybenzoic acid)
- 3535-33-9(4-Isopropoxy-3-methoxybenzoic acid)
- 1486-53-9(4-Benzyloxy-3-methoxybenzoic Acid)
- 6970-19-0(3,4,5-Triethoxybenzoic acid)
- 1570-05-4(3,4-Bis(phenylmethoxy)-benzoic Acid)
- 3535-30-6(4-Ethoxy-3-methoxybenzoic acid)
- 58452-00-9(3-Benzyloxy-4-methoxybenzoic acid)
- 3535-35-1(4-Isobutoxy-3-methoxy-benzoic acid)
- 101268-36-4(4-Butoxy-3-ethoxybenzoic Acid)
- 2651-55-0(3-Ethoxy-4-methoxybenzoic acid)
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