Cas no 39252-19-2 (tetrahydrofuran-2-ylmethyl 3-methylbenzoate)
39252-19-2 structure
Product Name:tetrahydrofuran-2-ylmethyl 3-methylbenzoate
CAS No:39252-19-2
MF:C13H16O3
MW:220.264344215393
CID:924384
PubChem ID:227878
Update Time:2025-04-19
tetrahydrofuran-2-ylmethyl 3-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- tetrahydrofuran-2-ylmethyl 3-methylbenzoate
- oxolan-2-ylmethyl 3-methylbenzoate
- AC1L5FTC
- AC1Q66BJ
- AR-1L6382
- CTK4I1195
- NSC20039
- NSC-20039
- Tetrahydro-2-furanylmethyl 3-methylbenzoate
- DTXSID10281080
- 39252-19-2
- BOVDTHGPHGMHAT-UHFFFAOYSA-N
- Tetrahydro-2-furanylmethyl 3-methylbenzoate #
- m-Toluic acid, 2-tetrahydrofurylmethyl ester
-
- Inchi： 1S/C13H16O3/c1-10-4-2-5-11(8-10)13(14)16-9-12-6-3-7-15-12/h2,4-5,8,12H,3,6-7,9H2,1H3
- InChI Key： BOVDTHGPHGMHAT-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(C1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 239
- 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: 2.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 2.33080
tetrahydrofuran-2-ylmethyl 3-methylbenzoate Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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