Cas no 2202-79-1 (1,4-Naphthalenedione,6,7-dimethyl-)
2202-79-1 structure
Product Name:1,4-Naphthalenedione,6,7-dimethyl-
CAS No:2202-79-1
MF:C12H10O2
MW:186.206603527069
CID:290459
PubChem ID:246354
Update Time:2025-04-19
1,4-Naphthalenedione,6,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,6,7-dimethyl-
- 6,7-dimethylnaphthalene-1,4-dione
- 2,3-dimethyl-5,8-naphthoquinone
- 6,7-dimethyl naphtho-1,4-quinone
- 6,7-Dimethyl-[1,4]naphthochinon
- 6,7-dimethyl-[1,4]naphthoquinone
- 6,7-dimethyl-1,4-naphthoquinone
- AC1L6HVN
- AC1Q6B16
- AR-1H0430
- CTK4E8325
- NSC59307
- SureCN3197749
- NSC-59307
- DTXSID70289123
- XQSNCIHUBDBBFY-UHFFFAOYSA-N
- SCHEMBL3197749
- 2202-79-1
- AKOS006321988
-
- Inchi： 1S/C12H10O2/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13/h3-6H,1-2H3
- InChI Key： XQSNCIHUBDBBFY-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C2=CC(C)=C(C)C=C21)=O
Computed Properties
- Exact Mass: 186.0681
- Monoisotopic Mass: 186.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 273
- 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: nothing
- Tautomer Count: 11
- Surface Charge: 0
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.2
- Boiling Point: 369.4°Cat760mmHg
- Flash Point: 138.6°C
- Refractive Index: 1.592
- PSA: 34.14
- LogP: 2.23860
1,4-Naphthalenedione,6,7-dimethyl- Related Literature
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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