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99419-31-5 | 3-Methyl-oxetane-3-carbaldehyde
CAS No: 99419-31-5 Catalog No: AG0065HD MDL No:MFCD09842436
Product Description
Catalog Number:
AG0065HD
Chemical Name:
3-Methyl-oxetane-3-carbaldehyde
CAS Number:
99419-31-5
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD09842436
IUPAC Name:
3-methyloxetane-3-carbaldehyde
InChI:
InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3
InChI Key:
DUQGFIKXKISULR-UHFFFAOYSA-N
SMILES:
O=CC1(C)COC1
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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