Cas no 62042-67-5 (1,4-Naphthalenedione, 2,5-dihydroxy-3-methyl- (9CI))
62042-67-5 structure
Product Name:1,4-Naphthalenedione, 2,5-dihydroxy-3-methyl- (9CI)
CAS No:62042-67-5
MF:C11H8O4
MW:204.178823471069
CID:852842
PubChem ID:12322317
Update Time:2025-04-19
1,4-Naphthalenedione, 2,5-dihydroxy-3-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2,5-dihydroxy-3-methyl- (9CI)
-
- Inchi： 1S/C11H8O4/c1-5-9(13)8-6(11(15)10(5)14)3-2-4-7(8)12/h2-4,12-13H,1H3
- InChI Key： AWYAUWZRTCQYOT-UHFFFAOYSA-N
- SMILES： OC1=C(C)C(C(C2C=CC=C(C=21)O)=O)=O
Computed Properties
- Exact Mass: 204.04225873g/mol
- Monoisotopic Mass: 204.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 356
- 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: 1.4
- Topological Polar Surface Area: 74.6?2
1,4-Naphthalenedione, 2,5-dihydroxy-3-methyl- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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