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121637-08-9 | Pentane, 3-ethoxy-2-methyl-
CAS No: 121637-08-9 Catalog No: AG0015GH MDL No:
Product Description
Catalog Number:
AG0015GH
Chemical Name:
Pentane, 3-ethoxy-2-methyl-
CAS Number:
121637-08-9
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
IUPAC Name:
3-ethoxy-2-methylpentane
InChI:
InChI=1S/C8H18O/c1-5-8(7(3)4)9-6-2/h7-8H,5-6H2,1-4H3
InChI Key:
KMRZNLASOHZEMA-UHFFFAOYSA-N
SMILES:
CCOC(C(C)C)CC
Properties
Complexity:
59.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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