Cas no 145589-31-7 (Benzaldehyde,4-(2-methyl-1-propen-1-yl)-)
145589-31-7 structure
Product Name:Benzaldehyde,4-(2-methyl-1-propen-1-yl)-
CAS No:145589-31-7
MF:C11H12O
MW:160.212383270264
CID:101554
PubChem ID:10986541
Update Time:2025-04-18
Benzaldehyde,4-(2-methyl-1-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-(2-methyl-1-propen-1-yl)-
- 4-(2-methylprop-1-enyl)benzaldehyde
- Benzaldehyde, 4-(2-methyl-1-propenyl)- (9CI)
- SCHEMBL9634064
- 4-(2-methyl-1-propenyl)benzaldehyde
- DTXSID00450768
- 4-(2-Methylprop-1-en-1-yl)benzaldehyde
- 145589-31-7
-
- Inchi： 1S/C11H12O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-8H,1-2H3
- InChI Key： GQNXCSYVMKYYAF-UHFFFAOYSA-N
- SMILES： O=CC1C=CC(=CC=1)/C=C(\C)/C
Computed Properties
- Exact Mass: 160.08886
- Monoisotopic Mass: 160.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 169
- 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
- XLogP3: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde,4-(2-methyl-1-propen-1-yl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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