Cas no 6953-58-8 (1,4-Naphthalenedione,2-benzoyl-2,3-dihydro-)
6953-58-8 structure
Product Name:1,4-Naphthalenedione,2-benzoyl-2,3-dihydro-
CAS No:6953-58-8
MF:C17H12O3
MW:264.275384902954
CID:529869
PubChem ID:243041
Update Time:2025-04-19
1,4-Naphthalenedione,2-benzoyl-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-benzoyl-2,3-dihydro-
- 2-benzoyl-2,3-dihydronaphthalene-1,4-dione
- AC1L6APV
- AC1Q6N9C
- AG-J-81621
- AR-1D9071
- CTK5D0339
- NSC52237
- NSC-52237
- 6953-58-8
- DTXSID30287701
-
- Inchi： 1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-9,14H,10H2
- InChI Key： MBNQQAYVUNSFAT-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(CC1C(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 264.07866
- Monoisotopic Mass: 264.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 420
- 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: 2.7
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- Density: 1.281
- Boiling Point: 469.6°Cat760mmHg
- Flash Point: 205.7°C
- Refractive Index: 1.625
- PSA: 51.21
- LogP: 2.95480
1,4-Naphthalenedione,2-benzoyl-2,3-dihydro- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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