Cas no 61440-93-5 (1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-)
61440-93-5 structure
Product Name:1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-
CAS No:61440-93-5
MF:C15H10O4
MW:254.237504482269
CID:479346
PubChem ID:12308101
Update Time:2025-04-19
1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-
- 6-(2-formylphenyl)-1,3-benzodioxole-5-carbaldehyde
- 61440-93-5
- DTXSID90487068
-
- Inchi： 1S/C15H10O4/c16-7-10-3-1-2-4-12(10)13-6-15-14(18-9-19-15)5-11(13)8-17/h1-8H,9H2
- InChI Key： LIBIHXKLEKHAKO-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C=O)C(=CC1=2)C1C=CC=CC=1C=O
Computed Properties
- Exact Mass: 254.0579
- Monoisotopic Mass: 254.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 343
- 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: 2.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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