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125261-00-9

125261-00-9 | 1,3-Dioxolane-2-acetaldehyde, 2-propyl-

CAS No: 125261-00-9 Catalog No: AG000NEX MDL No:

Product Description

Catalog Number:
AG000NEX
Chemical Name:
1,3-Dioxolane-2-acetaldehyde, 2-propyl-
CAS Number:
125261-00-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
2-(2-propyl-1,3-dioxolan-2-yl)acetaldehyde
InChI:
InChI=1S/C8H14O3/c1-2-3-8(4-5-9)10-6-7-11-8/h5H,2-4,6-7H2,1H3
InChI Key:
LPARFXDJSBKAKX-UHFFFAOYSA-N
SMILES:
CCCC1(CC=O)OCCO1

Properties

Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Synthesis enables identification of the cellular target of leucascandrolide A and neopeltolide. Nature chemical biology 20080701

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