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10138-89-3 | Butane, 1,1,3-trimethoxy-
CAS No: 10138-89-3 Catalog No: AG0004D2 MDL No:
Product Description
Catalog Number:
AG0004D2
Chemical Name:
Butane, 1,1,3-trimethoxy-
CAS Number:
10138-89-3
Molecular Formula:
C7H16O3
Molecular Weight:
148.2001
IUPAC Name:
1,1,3-trimethoxybutane
InChI:
InChI=1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3
InChI Key:
OMAKZNALRADTRX-UHFFFAOYSA-N
SMILES:
COC(CC(OC)OC)C
UNII:
40Z28L1KWF
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.202g/mol
Monoisotopic Mass:
148.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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