Cas no 146367-85-3 (Benzoic acid,4-hydroxy-3-methoxy-5-(3-methyl-2-buten-1-yl)-)
146367-85-3 structure
Product Name:Benzoic acid,4-hydroxy-3-methoxy-5-(3-methyl-2-buten-1-yl)-
CAS No:146367-85-3
MF:C13H16O4
MW:236.263744354248
CID:171512
PubChem ID:132759
Update Time:2025-04-19
Benzoic acid,4-hydroxy-3-methoxy-5-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-3-methoxy-5-(3-methyl-2-buten-1-yl)-
- 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid
- 3-Methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid
- 4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
- Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)-
- Proglobeflowery acid
- CHEBI:84442
- 146367-85-3
- DTXSID00163361
-
- Inchi： 1S/C13H16O4/c1-8(2)4-5-9-6-10(13(15)16)7-11(17-3)12(9)14/h4,6-7,14H,5H2,1-3H3,(H,15,16)
- InChI Key： DWHDSRHHYMSXSP-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C(=O)O)=CC(=C1O)C/C=C(\C)/C
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.104859
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 294
- 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
- Topological Polar Surface Area: 66.8
- XLogP3: 3
Experimental Properties
- Density: 1.18
- Boiling Point: 401°C at 760 mmHg
- Flash Point: 151.4°C
- Refractive Index: 1.563
- PSA: 66.76
Benzoic acid,4-hydroxy-3-methoxy-5-(3-methyl-2-buten-1-yl)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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