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3074-76-8 | Hexane, 3-ethyl-3-methyl-
CAS No: 3074-76-8 Catalog No: AG00314Q MDL No:
Product Description
Catalog Number:
AG00314Q
Chemical Name:
Hexane, 3-ethyl-3-methyl-
CAS Number:
3074-76-8
Molecular Formula:
C9H20
Molecular Weight:
128.2551
IUPAC Name:
3-ethyl-3-methylhexane
InChI:
InChI=1S/C9H20/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3
InChI Key:
CYWROHZCELEGSE-UHFFFAOYSA-N
SMILES:
CCCC(CC)(CC)C
Properties
Complexity:
60.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.157g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.259g/mol
Monoisotopic Mass:
128.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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