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1170778-26-3 | 1-Heptanol, 3,5-dimethyl-
CAS No: 1170778-26-3 Catalog No: AG000DNI MDL No:
Product Description
Catalog Number:
AG000DNI
Chemical Name:
1-Heptanol, 3,5-dimethyl-
CAS Number:
1170778-26-3
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
3,5-dimethylheptan-1-ol
InChI:
InChI=1S/C9H20O/c1-4-8(2)7-9(3)5-6-10/h8-10H,4-7H2,1-3H3
InChI Key:
HBUKPSFSXBTFFW-UHFFFAOYSA-N
SMILES:
OCCC(CC(CC)C)C
Properties
Complexity:
71.1
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:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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