Cas no 87901-84-6 (5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester)
87901-84-6 structure
Product Name:5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester
CAS No:87901-84-6
MF:C21H16O3
MW:316.349946022034
CID:650876
PubChem ID:13202075
Update Time:2025-04-19
5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester
- methyl 8-methoxychrysene-5-carboxylate
- 87901-84-6
- DTXSID70527077
-
- Inchi： 1S/C21H16O3/c1-23-15-8-10-16-14(11-15)12-19(21(22)24-2)20-17-6-4-3-5-13(17)7-9-18(16)20/h3-12H,1-2H3
- InChI Key： LAFXNCZTULDEDI-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2C(C=1)=CC(C(=O)OC)=C1C3C=CC=CC=3C=CC1=2
Computed Properties
- Exact Mass: 316.109944368g/mol
- Monoisotopic Mass: 316.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 462
- 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: 5.5
- Topological Polar Surface Area: 35.5?2
5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
87901-84-6 (5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester) Related Products
- 93-44-7(naphthalen-2-yl benzoate)
- 23676-08-6(Methyl 4-Ethyloxybenzoate)
- 32122-11-5(Methyl 4-benzyloxybenzoate)
- 17295-26-0(6-Acetoxy-2-naphthoic Acid)
- 13041-63-9(Methyl 4-hydroxy-1-naphthoate)
- 14387-30-5(Dimethyl-4',4-oxybis(benzoate))
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
- 36112-61-5(6-Methoxy-1-naphthoic acid)
- 17295-11-3(methyl 6-hydroxynaphthalene-2-carboxylate)
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