Cas no 62942-02-3 (1,4-Naphthalenediol, 2-methyl-, monoacetate)
62942-02-3 structure
Product Name:1,4-Naphthalenediol, 2-methyl-, monoacetate
CAS No:62942-02-3
MF:C13H12O3
MW:216.232583999634
CID:428474
PubChem ID:313134
Update Time:2025-04-19
1,4-Naphthalenediol, 2-methyl-, monoacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenediol, 2-methyl-, monoacetate
- acetic acid,2-methylnaphthalene-1,4-diol
- Menadiol monoacetate
- MFCD02667139
- CS-0323970
- SR-01000296120
- 4-Hydroxy-2-methyl-1-naphthyl acetate
- SMR000081657
- SR-01000296120-1
- AKOS003277903
- NSC-226252
- NSC226252
- 1-Acetoxy-4-hydroxy-2-methylnaphthalene
- SDCCGMLS-0040214.P002
- (4-hydroxy-2-methylnaphthalen-1-yl) acetate
- 4-Hydroxy-2-methyl-1-naphthylacetate
- 1-acetoxy-4-hydroxy-2-methyl-naphthalene
- MLS000100004
- 2211-27-0
- 1,4-naphthalenediol, 2-methyl-, 1-acetate
- DTXSID60310379
- HMS1600F02
- 4-hydroxy-2-methylnaphthalen-1-yl acetate
- AO-080/42479215
- SCHEMBL3597080
- 4-Hydroxy-2-methyl-1-naphthyl acetate #
- LS-07522
- 62942-02-3
- Naphthalene-1,4-diol, 1-O-acetyl-2-methyl-
- CHEMBL1332434
-
- Inchi： 1S/C13H12O3/c1-8-7-12(15)10-5-3-4-6-11(10)13(8)16-9(2)14/h3-7,15H,1-2H3
- InChI Key： JPUZRBGFEWQQEW-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(C)=CC(=C2C=CC=CC2=1)O
Computed Properties
- Exact Mass: 234.08922
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 264
- 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: 2.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 77.76
1,4-Naphthalenediol, 2-methyl-, monoacetate Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
62942-02-3 (1,4-Naphthalenediol, 2-methyl-, monoacetate) Related Products
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