Cas no 61152-61-2 (2,3-Butanediol, 1-(4-hydroxy-3-methoxyphenyl)-)
61152-61-2 structure
Product Name:2,3-Butanediol, 1-(4-hydroxy-3-methoxyphenyl)-
CAS No:61152-61-2
MF:C11H16O4
MW:212.242343902588
CID:490407
PubChem ID:71398900
Update Time:2025-04-19
2,3-Butanediol, 1-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Butanediol, 1-(4-hydroxy-3-methoxyphenyl)-
- 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
- DTXSID40820289
- 61152-61-2
-
- Inchi： 1S/C11H16O4/c1-7(12)10(14)5-8-3-4-9(13)11(6-8)15-2/h3-4,6-7,10,12-14H,5H2,1-2H3
- InChI Key： ZHTJWNGPKPVODR-UHFFFAOYSA-N
- SMILES： OC(C(C)O)CC1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 212.10488
- Monoisotopic Mass: 212.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 69.9?2
Experimental Properties
- PSA: 69.92
2,3-Butanediol, 1-(4-hydroxy-3-methoxyphenyl)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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