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89393-16-8 | Pentane, 1-(1-butoxyethoxy)-4-methyl-
CAS No: 89393-16-8 Catalog No: AG003WB0 MDL No:
Product Description
Catalog Number:
AG003WB0
Chemical Name:
Pentane, 1-(1-butoxyethoxy)-4-methyl-
CAS Number:
89393-16-8
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
IUPAC Name:
1-(1-butoxyethoxy)-4-methylpentane
InChI:
InChI=1S/C12H26O2/c1-5-6-9-13-12(4)14-10-7-8-11(2)3/h11-12H,5-10H2,1-4H3
InChI Key:
FPALCVDANOORBT-UHFFFAOYSA-N
SMILES:
CCCCOC(OCCCC(C)C)C
Properties
Complexity:
113
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:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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