Cas no 250126-54-6 (1,4-Naphthalenedione, 6-(1-oxopropyl)- (9CI))
250126-54-6 structure
Product Name:1,4-Naphthalenedione, 6-(1-oxopropyl)- (9CI)
CAS No:250126-54-6
MF:C13H10O3
MW:214.216703891754
CID:246245
Update Time:2024-01-26
1,4-Naphthalenedione, 6-(1-oxopropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 6-(1-oxopropyl)- (9CI)
- 1,4-Naphthalenedione,6-(1-oxopropyl)-
- 1,4-Naphthalenedione, 6-(1-oxopropyl)-
-
- Inchi： 1S/C13H10O3/c1-2-11(14)8-3-4-9-10(7-8)13(16)6-5-12(9)15/h3-7H,2H2,1H3
- InChI Key： FWPOHZNZQOIVHS-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C=C(C(=O)CC)C=C2)C(=O)C=C1
Computed Properties
- Exact Mass: 214.063
- Monoisotopic Mass: 214.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 367
- 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
- Topological Polar Surface Area: 51.2A^2
1,4-Naphthalenedione, 6-(1-oxopropyl)- (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
250126-54-6 (1,4-Naphthalenedione, 6-(1-oxopropyl)- (9CI)) Related Products
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- 605-93-6(6-Methyl-1,4-naphthoquinone)
- 2202-79-1(1,4-Naphthalenedione,6,7-dimethyl-)
- 20490-42-0(2,3,6-trimethyl-1,4-dihydronaphthalene-1,4-dione)
- 482-70-2(1,4-Naphthalenedione,2,7-dimethyl-)
- 109699-80-1(Benzo[c]phenanthrene-1,4-dione)
- 635-12-1(Anthracene-1,4-dione)
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