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1561-18-8 | 2-Heptanol, 2,5-dimethyl-
CAS No: 1561-18-8 Catalog No: AG001OIO MDL No:
Product Description
Catalog Number:
AG001OIO
Chemical Name:
2-Heptanol, 2,5-dimethyl-
CAS Number:
1561-18-8
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
2,5-dimethylheptan-2-ol
InChI:
InChI=1S/C9H20O/c1-5-8(2)6-7-9(3,4)10/h8,10H,5-7H2,1-4H3
InChI Key:
LVIFBEPHIBJBEU-UHFFFAOYSA-N
SMILES:
CCC(CCC(O)(C)C)C
Properties
Complexity:
86.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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