Cas no 23417-79-0 (Benzaldehyde,2-(1-methylethenyl)-)
23417-79-0 structure
Product Name:Benzaldehyde,2-(1-methylethenyl)-
CAS No:23417-79-0
MF:C10H10O
MW:146.185802936554
CID:252037
PubChem ID:12371600
Update Time:2025-04-19
Benzaldehyde,2-(1-methylethenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,2-(1-methylethenyl)-
- Benzaldehyde,o-isopropenyl- (8CI)
- 2-prop-1-en-2-ylbenzaldehyde
- SCHEMBL487469
- Benzaldehyde, 2-(1-methylethenyl)-
- 2-(prop-1-en-2-yl)benzaldehyde
- DTXSID60494860
- 2-Isopropenylbenzaldehyde
- 23417-79-0
-
- Inchi： 1S/C10H10O/c1-8(2)10-6-4-3-5-9(10)7-11/h3-7H,1H2,2H3
- InChI Key： BBXDYSHCNKJGJK-UHFFFAOYSA-N
- SMILES： O=CC1C=CC=CC=1C(=C)C
Computed Properties
- Exact Mass: 146.0732
- Monoisotopic Mass: 146.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 160
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde,2-(1-methylethenyl)- Related Literature
-
Caiyou Chen,Xiu-Qin Dong,Xumu Zhang Org. Chem. Front. 2016 3 1359
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