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26254-86-4 | Propanal, 3-methoxy-2,2-dimethyl-
CAS No: 26254-86-4 Catalog No: AG002SGI MDL No:MFCD21608362
Product Description
Catalog Number:
AG002SGI
Chemical Name:
Propanal, 3-methoxy-2,2-dimethyl-
CAS Number:
26254-86-4
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD21608362
IUPAC Name:
3-methoxy-2,2-dimethylpropanal
InChI:
InChI=1S/C6H12O2/c1-6(2,4-7)5-8-3/h4H,5H2,1-3H3
InChI Key:
MSUXOWPAVUXNMZ-UHFFFAOYSA-N
SMILES:
COCC(C=O)(C)C
EC Number:
247-549-4
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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