Cas no 893738-94-8 (Benzaldehyde,4-(2,3-dihydro-1H-indol-5-yl)-)
893738-94-8 structure
Product Name:Benzaldehyde,4-(2,3-dihydro-1H-indol-5-yl)-
CAS No:893738-94-8
MF:C15H13NO
MW:223.269823789597
CID:714678
Update Time:2024-01-31
Benzaldehyde,4-(2,3-dihydro-1H-indol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-(2,3-dihydro-1H-indol-5-yl)-
- 4-(2,3-dihydro-1H-indol-5-yl)benzaldehyde
- 4-(Indolin-5-yl)benzaldehyde
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- Inchi： 1S/C15H13NO/c17-10-11-1-3-12(4-2-11)13-5-6-15-14(9-13)7-8-16-15/h1-6,9-10,16H,7-8H2
- InChI Key： GBQKLAXGXUUCBW-UHFFFAOYSA-N
- SMILES： C(=O)C1=CC=C(C2C=CC3=C(C=2)CCN3)C=C1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 270
- 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: 5
- XLogP3: 3
Benzaldehyde,4-(2,3-dihydro-1H-indol-5-yl)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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