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10042-59-8 | 1-Heptanol, 2-propyl-
CAS No: 10042-59-8 Catalog No: AG0001YI MDL No:MFCD00046768
Product Description
Catalog Number:
AG0001YI
Chemical Name:
1-Heptanol, 2-propyl-
CAS Number:
10042-59-8
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
MDL Number:
MFCD00046768
IUPAC Name:
2-propylheptan-1-ol
InChI:
InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
InChI Key:
YLQLIQIAXYRMDL-UHFFFAOYSA-N
SMILES:
CCCCCC(CCC)CO
EC Number:
233-126-1
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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