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20278-88-0 | Heptane, 3,4,4-trimethyl-
CAS No: 20278-88-0 Catalog No: AG0028F1 MDL No:
Product Description
Catalog Number:
AG0028F1
Chemical Name:
Heptane, 3,4,4-trimethyl-
CAS Number:
20278-88-0
Molecular Formula:
C10H22
Molecular Weight:
142.2817
IUPAC Name:
3,4,4-trimethylheptane
InChI:
InChI=1S/C10H22/c1-6-8-10(4,5)9(3)7-2/h9H,6-8H2,1-5H3
InChI Key:
BLNBSBLKPFFJKQ-UHFFFAOYSA-N
SMILES:
CCCC(C(CC)C)(C)C
Properties
Complexity:
82
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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