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114462-19-0 | Butanal, 3-(methoxymethoxy)-
CAS No: 114462-19-0 Catalog No: AG000EFR MDL No:
Product Description
Catalog Number:
AG000EFR
Chemical Name:
Butanal, 3-(methoxymethoxy)-
CAS Number:
114462-19-0
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
3-(methoxymethoxy)butanal
InChI:
InChI=1S/C6H12O3/c1-6(3-4-7)9-5-8-2/h4,6H,3,5H2,1-2H3
InChI Key:
QMLOPHHMLMSUAU-UHFFFAOYSA-N
SMILES:
COCOC(CC=O)C
Properties
Complexity:
72.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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