Cas no 885279-10-7 (2-Naphthalenecarboxaldehyde,1-chloro-3,4-dihydro-6,7-dimethoxy-)
885279-10-7 structure
Product Name:2-Naphthalenecarboxaldehyde,1-chloro-3,4-dihydro-6,7-dimethoxy-
CAS No:885279-10-7
MF:C13H13ClO3
MW:252.693523168564
CID:711623
PubChem ID:53407199
Update Time:2025-04-19
2-Naphthalenecarboxaldehyde,1-chloro-3,4-dihydro-6,7-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxaldehyde,1-chloro-3,4-dihydro-6,7-dimethoxy-
- 1-Chloro-6,7-dimethoxy-3,4-dihydro-naphthalene-2-carbaldehyde
- 1-chloro-6,7-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
- 2-Naphthalenecarboxaldehyde,1-chloro-3,4-dihydro-6,7-dimethoxy
- FT-0723170
- SCHEMBL15333322
- SB39537
- AKOS027383477
- C13H13ClO3
- 885279-10-7
- DTXSID20695811
-
- Inchi： 1S/C13H13ClO3/c1-16-11-5-8-3-4-9(7-15)13(14)10(8)6-12(11)17-2/h5-7H,3-4H2,1-2H3
- InChI Key： JUWXIWJQAJWJGO-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)CCC2C=C(C(=CC=21)OC)OC
Computed Properties
- Exact Mass: 252.05500
- Monoisotopic Mass: 252.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 327
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 2.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 2.79880
2-Naphthalenecarboxaldehyde,1-chloro-3,4-dihydro-6,7-dimethoxy- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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