Cas no 1446-84-0 (1,3-Benzodioxole-5-propanol,b-methyl-)
1446-84-0 structure
Product Name:1,3-Benzodioxole-5-propanol,b-methyl-
CAS No:1446-84-0
MF:C11H14O3
MW:194.227063655853
CID:159874
PubChem ID:225838
Update Time:2025-04-19
1,3-Benzodioxole-5-propanol,b-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-propanol,b-methyl-
- 3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
- 3-benzo[1,3]dioxol-5-yl-2-methyl-propan-1-ol
- 3-(1,3-benzodioxol-5-yl)-2-methylpropanol
- 3-(benzo[1,3]dioxol-5-yl)-2-methylpropanol
- AC1L5EBT
- AC1Q6ZXO
- AG-J-16750
- AGN-PC-014SCA
- AR-1E6515
- CTK4C4171
- NSC15667
- SureCN1472654
- NSC-15667
- 1446-84-0
- 3-(2H-1,3-Benzodioxol-5-yl)-2-methylpropan-1-ol
- SCHEMBL1472654
- DTXSID90280137
-
- Inchi： 1S/C11H14O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8,12H,4,6-7H2,1H3
- InChI Key： MXVLFOMMAUNPJY-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)CC(C)CO
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 183
- 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: 2.3
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 1.181
- Boiling Point: 316.7°Cat760mmHg
- Flash Point: 145.3°C
- Refractive Index: 1.554
- PSA: 38.69
- LogP: 1.58620
1,3-Benzodioxole-5-propanol,b-methyl- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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