Cas no 106966-22-7 (Benzaldehyde,4-(1,3-butadienyl)-, (Z)- (9CI))
106966-22-7 structure
Product Name:Benzaldehyde,4-(1,3-butadienyl)-, (Z)- (9CI)
CAS No:106966-22-7
MF:C11H10O
MW:158.196503162384
CID:127395
PubChem ID:45083984
Update Time:2025-04-18
Benzaldehyde,4-(1,3-butadienyl)-, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-(1,3-butadienyl)-, (Z)- (9CI)
- 106966-22-7
- 4-[(1Z)-1,3-Butadien-1-yl]benzaldehyde
- Benzaldehyde, 4-(1,3-butadienyl)-, (Z)- (9CI)
-
- Inchi： 1S/C11H10O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h2-9H,1H2/b4-3-
- InChI Key： YBSAODGYDYQURH-ARJAWSKDSA-N
- SMILES： O=CC1C=CC(/C=C\C=C)=CC=1
Computed Properties
- Exact Mass: 158.0732
- Monoisotopic Mass: 158.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 173
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 17.07
Benzaldehyde,4-(1,3-butadienyl)-, (Z)- (9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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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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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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