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13002-09-0 | Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl-
CAS No: 13002-09-0 Catalog No: AG000TXH MDL No:MFCD08741449
Product Description
Catalog Number:
AG000TXH
Chemical Name:
Butane, 1,1'-[ethylidenebis(oxy)]bis[3-methyl-
CAS Number:
13002-09-0
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
MDL Number:
MFCD08741449
IUPAC Name:
3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane
InChI:
InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3
InChI Key:
LXKCTPBHCJDSKC-UHFFFAOYSA-N
SMILES:
CC(OCCC(C)C)OCCC(C)C
EC Number:
235-839-3
UNII:
C34X3NFO1A
FEMA Number:
4024
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.193g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.338g/mol
Monoisotopic Mass:
202.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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