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20278-85-7 | Heptane, 2,3,5-trimethyl-
CAS No: 20278-85-7 Catalog No: AG0028F3 MDL No:
Product Description
Catalog Number:
AG0028F3
Chemical Name:
Heptane, 2,3,5-trimethyl-
CAS Number:
20278-85-7
Molecular Formula:
C10H22
Molecular Weight:
142.2817
IUPAC Name:
2,3,5-trimethylheptane
InChI:
InChI=1S/C10H22/c1-6-9(4)7-10(5)8(2)3/h8-10H,6-7H2,1-5H3
InChI Key:
YKPNYFKOKKKGNM-UHFFFAOYSA-N
SMILES:
CCC(CC(C(C)C)C)C
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.172g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.286g/mol
Monoisotopic Mass:
142.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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