Cas no 30830-55-8 (1,3-Benzodioxole-5-propanal)
1,3-Benzodioxole-5-propanal structure
Product Name:1,3-Benzodioxole-5-propanal
CAS No:30830-55-8
MF:C10H10O3
MW:178.184603214264
CID:315041
PubChem ID:169203
Update Time:2025-04-19
1,3-Benzodioxole-5-propanal Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-propanal
- 3-(1,3-benzodioxol-5-yl)propanal
- 1,3-Benzodioxole-5-propionaldehyde
- AB49248
- 30830-55-8
- CHEBI:167435
- DTXSID8067577
- 3-(1,3-dioxaindan-5-yl)propanal
- AKOS006230725
- 3-(1,3-Benzodioxole-5-yl)propanal
- EN300-1987502
- 3,4-methylenedioxyphenyl-1-propanal
- 3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANAL
- NS00028970
- EINECS 250-351-0
- Piperonyl-azetaldehyd
- 3-BENZO[1,3]DIOXOL-5-YL-PROPIONALDEHYDE
- SCHEMBL869843
- 3-(3,4-METHYLENEDIOXYPHENYL)PROPIONALDEHYDE
- A820640
-
- Inchi： 1S/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-6H,1-2,7H2
- InChI Key： IDCKZBGINKOTOL-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)CCC=O
Computed Properties
- Exact Mass: 178.063
- Monoisotopic Mass: 178.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- 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: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 35.5A^2
Experimental Properties
- Density: 1.21
- Boiling Point: 278.1°Cat760mmHg
- Flash Point: 112.7°C
- Refractive Index: 1.548
- PSA: 35.53
- LogP: 1.54680
1,3-Benzodioxole-5-propanal Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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