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14898-80-7 | 2-Pentanol, 4-methyl-, (2S)-
CAS No: 14898-80-7 Catalog No: AG001LBL MDL No:
Product Description
Catalog Number:
AG001LBL
Chemical Name:
2-Pentanol, 4-methyl-, (2S)-
CAS Number:
14898-80-7
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
IUPAC Name:
(2S)-4-methylpentan-2-ol
InChI:
InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1
InChI Key:
WVYWICLMDOOCFB-LURJTMIESA-N
SMILES:
CC(C[C@@H](O)C)C
Properties
Complexity:
41.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
102.104g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.177g/mol
Monoisotopic Mass:
102.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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