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83615-50-3 | 2-PENTANOL, 4,4-DIMETHYL-, (2R)-
CAS No: 83615-50-3 Catalog No: AG004YVK MDL No:
Product Description
Catalog Number:
AG004YVK
Chemical Name:
2-PENTANOL, 4,4-DIMETHYL-, (2R)-
CAS Number:
83615-50-3
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
IUPAC Name:
(2R)-4,4-dimethylpentan-2-ol
InChI:
InChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1
InChI Key:
OIBKGNPMOMMSSI-ZCFIWIBFSA-N
SMILES:
C[C@H](CC(C)(C)C)O
Properties
Complexity:
61.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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