Cas no 4152-81-2 ( )
structure
Product Name:
CAS No:4152-81-2
MF:C16H18O7
MW:322.309925556183
CID:927057
PubChem ID:282746
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- Catechol Dipropyl Ether; brenzcatechin-di-n-propylether; Pyrocatechol Dipropyl Ether; CATECHOL DI-N-PROPYL ETHER; Di-O-propyl-brenzcatechin; PYROCATECHOL DI-N-PROPYL ETHER; 1,2-Dipropoxy-benzol; 1,2-dipropoxy-benzene; o-dipropoxybenzene; 1,2-DIPROPOXYBENZENE; o-Dipropoxybenzene; 1,2-dipropoxybenzene;
- NSC-136579
- NSC136579
- 1,2-di-o-acetyl-3-o-benzoyl-5-deoxypentofuranose
- 4152-81-2
- DTXSID30961796
-
-
- Inchi： 1S/C16H18O7/c1-9-13(23-15(19)12-7-5-4-6-8-12)14(21-10(2)17)16(20-9)22-11(3)18/h4-9,13-14,16H,1-3H3
- InChI Key： RZVPBCPANJWQKW-UHFFFAOYSA-N
- SMILES： O1C(C(C(C1C)OC(C1C=CC=CC=1)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 322.10525291g/mol
- Monoisotopic Mass: 322.10525291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 455
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 88.1?2
Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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