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3-Methylheptane

CAS No.:
589-81-1
Catalog Number:
AG003JRE
Molecular Formula:
C8H18
Molecular Weight:
114.2285
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Product Description
Catalog Number:
AG003JRE
Chemical Name:
3-Methylheptane
CAS Number:
589-81-1
Molecular Formula:
C8H18
Molecular Weight:
114.2285
MDL Number:
MFCD00027244
IUPAC Name:
3-methylheptane
InChI:
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
InChI Key:
LAIUFBWHERIJIH-UHFFFAOYSA-N
SMILES:
CCCCC(CC)C
EC Number:
209-660-6
NSC Number:
24845
Properties
Complexity:
39.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.141g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.232g/mol
Monoisotopic Mass:
114.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
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Properties