Cas no 3063-86-3 (1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-)
3063-86-3 structure
Product Name:1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-
CAS No:3063-86-3
MF:C10H14O4
MW:198.215763568878
CID:293066
PubChem ID:67515505
Update Time:2025-04-19
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-
- 1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
- SCHEMBL2728020
- 3063-86-3
- DTXSID40737404
-
- Inchi： 1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3
- InChI Key： ZWZPBECHOLTFFT-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=C(C=1)OC)O)CCO
Computed Properties
- Exact Mass: 198.08922
- Monoisotopic Mass: 198.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 162
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- 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
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)- Related Literature
-
Daniel J. McClelland,Ali Hussain Motagamwala,Yanding Li,Marjorie R. Rover,Ashley M. Wittrig,Chunping Wu,J. Scott Buchanan,Robert C. Brown,John Ralph,James A. Dumesic,George W. Huber Green Chem. 2017 19 1378
3063-86-3 (1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-) Related Products
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