Cas no 57998-99-9 ( )
structure
Product Name:
CAS No:57998-99-9
MF:C16H18O4
MW:274.311725139618
CID:947913
PubChem ID:301926
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) acetate
- (6.7-Dimethyl-5.8-dihydro-naphthalindiyl-(1.4))-diacetat
- (6.7-Dimethyl-5.8-dihydro-naphthylen-(1.4))-diacetat
- 5,8-diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalene
- 5,8-Diacetoxy-2,3-dimethyl-1,4-dihydro-naphthalin
- 6,7-dimethyl-5,8-dihydronaphthalene-1,4-diyl diacetate
- AC1L6ZGU
- HMS2884P21
- NSC180964
- 57998-99-9
- acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
- MLS000756408
- CHEMBL1581537
- SMR000528717
- NSC-180964
- DTXSID50306887
- CHEBI:109327
- Q27188414
-
-
- Inchi： 1S/C16H18O4/c1-9-7-13-14(8-10(9)2)16(20-12(4)18)6-5-15(13)19-11(3)17/h5-6H,7-8H2,1-4H3
- InChI Key： SEGUKPAFTPETCX-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=C(C2CC(C)=C(C)CC=21)OC(C)=O
Computed Properties
- Exact Mass: 274.12054
- Monoisotopic Mass: 274.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 2.97220
Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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