Cas no 145354-82-1 (1,3-Dioxolane-2-methanol,4-(acetyloxy)-, 2-benzoate)
145354-82-1 structure
Product Name:1,3-Dioxolane-2-methanol,4-(acetyloxy)-, 2-benzoate
CAS No:145354-82-1
MF:C13H14O6
MW:266.246664524078
CID:101693
PubChem ID:9835070
Update Time:2025-04-18
1,3-Dioxolane-2-methanol,4-(acetyloxy)-, 2-benzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-2-methanol,4-(acetyloxy)-, 2-benzoate
- (4-acetyloxy-1,3-dioxolan-2-yl)methyl benzoate
- [(2R,4R)-4-acetyloxy-1,3-dioxolan-2-yl]methyl benzoate
- BENZOIC ACID (S)-4-ACETOXY-[1,3]DIOXOLAN-2-YLMETHYL ESTER
- 145354-82-1
- SCHEMBL132805
- DTXSID90431501
- [4-(ACETYLOXY)-1,3-DIOXOLAN-2-YL]METHYL BENZOATE
-
- Inchi： 1S/C13H14O6/c1-9(14)18-12-8-16-11(19-12)7-17-13(15)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
- InChI Key： HZFOOXNVWXVDJP-UHFFFAOYSA-N
- SMILES： O1C(COC1COC(C1C=CC=CC=1)=O)OC(C)=O
Computed Properties
- Exact Mass: 266.07900
- Monoisotopic Mass: 266.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 323
- 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: 1.5
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06000
- LogP: 1.10550
1,3-Dioxolane-2-methanol,4-(acetyloxy)-, 2-benzoate Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
145354-82-1 (1,3-Dioxolane-2-methanol,4-(acetyloxy)-, 2-benzoate) Related Products
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