Cas no 1374572-74-3 (2-(5-Methyl-1-oxoisochroman-6-yl)acetaldehyde)
1374572-74-3 structure
Product Name:2-(5-Methyl-1-oxoisochroman-6-yl)acetaldehyde
CAS No:1374572-74-3
MF:C12H12O3
MW:204.221883773804
CID:2121368
Update Time:2023-08-04
2-(5-Methyl-1-oxoisochroman-6-yl)acetaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-(5-methyl-1-oxoisochroman-6-yl)acetaldehyde
- WPSGWVDHHCRYOX-UHFFFAOYSA-N
- (5-Methyl-1-oxo-3,4-dihydro-1H-isochromen-6-yl)acetaldehyde
- 2-(5-Methyl-1-oxoisochroman-6-yl)acetaldehyde
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- Inchi： 1S/C12H12O3/c1-8-9(4-6-13)2-3-11-10(8)5-7-15-12(11)14/h2-3,6H,4-5,7H2,1H3
- InChI Key： WPSGWVDHHCRYOX-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(CC=O)=C(C)C=2CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- Topological Polar Surface Area: 43.4
2-(5-Methyl-1-oxoisochroman-6-yl)acetaldehyde Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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