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27574-98-7 | Heptane, 2,3,4,5,6-pentamethyl-
CAS No: 27574-98-7 Catalog No: AG002U4J MDL No:
Product Description
Catalog Number:
AG002U4J
Chemical Name:
Heptane, 2,3,4,5,6-pentamethyl-
CAS Number:
27574-98-7
Molecular Formula:
C12H26
Molecular Weight:
170.3348
IUPAC Name:
2,3,4,5,6-pentamethylheptane
InChI:
InChI=1S/C12H26/c1-8(2)10(5)12(7)11(6)9(3)4/h8-12H,1-7H3
InChI Key:
YIKFFSNUOIJPSI-UHFFFAOYSA-N
SMILES:
CC(C(C(C)C)C)C(C(C)C)C
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.203g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.34g/mol
Monoisotopic Mass:
170.203g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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