Cas no 106966-21-6 (Benzaldehyde,3-(1,3-butadienyl)-, (Z)- (9CI))
106966-21-6 structure
Product Name:Benzaldehyde,3-(1,3-butadienyl)-, (Z)- (9CI)
CAS No:106966-21-6
MF:C11H10O
MW:158.196503162384
CID:127394
PubChem ID:45083985
Update Time:2025-04-18
Benzaldehyde,3-(1,3-butadienyl)-, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3-(1,3-butadienyl)-, (Z)- (9CI)
- 106966-21-6
- 3-[(1Z)-1,3-Butadien-1-yl]benzaldehyde
- Benzaldehyde, 3-(1,3-butadienyl)-, (Z)- (9CI)
-
- Inchi： 1S/C11H10O/c1-2-3-5-10-6-4-7-11(8-10)9-12/h2-9H,1H2/b5-3-
- InChI Key： SBYMTSUZXZRCHG-HYXAFXHYSA-N
- SMILES： O=CC1=CC=CC(/C=C\C=C)=C1
Computed Properties
- Exact Mass: 158.0732
- Monoisotopic Mass: 158.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 181
- 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: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde,3-(1,3-butadienyl)-, (Z)- (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jason Wan Lab Chip, 2020,20, 4528-4538
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