Cas no 503591-23-9 (Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI))
503591-23-9 structure
Product Name:Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI)
CAS No:503591-23-9
MF:C10H8O2
MW:160.169322967529
CID:1022409
PubChem ID:45083344
Update Time:2025-04-20
Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI)
- 3-(3-oxoprop-1-enyl)benzaldehyde
- 503591-23-9
- 3-(3-Formylphenyl)propenal
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- Inchi: 1S/C10H8O2/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1-8H/b5-2+
- InChI Key: NWTPLVJOJDOSLA-GORDUTHDSA-N
- SMILES: O=CC1=CC=CC(/C=C/C=O)=C1
Computed Properties
- Exact Mass: 160.052429494g/mol
- Monoisotopic Mass: 160.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 34.1?2
Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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