Cas no 71118-99-5 (Benzaldehyde, 3-butoxy-4-hydroxy-)
71118-99-5 structure
Product Name:Benzaldehyde, 3-butoxy-4-hydroxy-
CAS No:71118-99-5
MF:C11H14O3
MW:194.227063655853
CID:1748036
PubChem ID:19261375
Update Time:2025-04-21
Benzaldehyde, 3-butoxy-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-butoxy-4-hydroxy-
- 3-butoxy-4-hydroxyBenzaldehyde
- DA-23886
- VGFKHDQDAWPTJO-UHFFFAOYSA-N
- 3-n-butoxy-p-hydroxybenzaldehyde
- AKOS005215953
- SCHEMBL2890759
- 71118-99-5
- 3-butoxy-4-hydroxy-benzaldehyde
-
- Inchi： 1S/C11H14O3/c1-2-3-6-14-11-7-9(8-12)4-5-10(11)13/h4-5,7-8,13H,2-3,6H2,1H3
- InChI Key： VGFKHDQDAWPTJO-UHFFFAOYSA-N
- SMILES： O(C1C(=CC=C(C=O)C=1)O)CCCC
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 170
- 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: 2.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzaldehyde, 3-butoxy-4-hydroxy- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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