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Home > Aldehydes > 112397-23-6
112397-23-6 | 1,3-Dioxolane-4-carboxaldehyde, 2-methyl-
CAS No: 112397-23-6 Catalog No: AG007B3M MDL No:
Product Description
Catalog Number:
AG007B3M
Chemical Name:
1,3-Dioxolane-4-carboxaldehyde, 2-methyl-
CAS Number:
112397-23-6
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
IUPAC Name:
2-methyl-1,3-dioxolane-4-carbaldehyde
InChI:
InChI=1S/C5H8O3/c1-4-7-3-5(2-6)8-4/h2,4-5H,3H2,1H3
InChI Key:
MGJRCILWZGKOON-UHFFFAOYSA-N
SMILES:
CC1OC(CO1)C=O
Properties
Complexity:
91.7
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:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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