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90711-96-9 | 2-(1,3-Dioxolan-2-yl)acetaldehyde
CAS No: 90711-96-9 Catalog No: AG006B24 MDL No:MFCD11505973
Product Description
Catalog Number:
AG006B24
Chemical Name:
2-(1,3-Dioxolan-2-yl)acetaldehyde
CAS Number:
90711-96-9
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD11505973
IUPAC Name:
2-(1,3-dioxolan-2-yl)acetaldehyde
InChI:
InChI=1S/C5H8O3/c6-2-1-5-7-3-4-8-5/h2,5H,1,3-4H2
InChI Key:
ZOTGJAVQDFWABL-UHFFFAOYSA-N
SMILES:
O=CCC1OCCO1
Properties
Complexity:
75.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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