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1572-96-9 | 2-Butanol, 3,3-dimethyl-, (2R)-
CAS No: 1572-96-9 Catalog No: AG001PA1 MDL No:MFCD08702982
Product Description
Catalog Number:
AG001PA1
Chemical Name:
2-Butanol, 3,3-dimethyl-, (2R)-
CAS Number:
1572-96-9
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
MDL Number:
MFCD08702982
IUPAC Name:
(2R)-3,3-dimethylbutan-2-ol
InChI:
InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3/t5-/m1/s1
InChI Key:
DFOXKPDFWGNLJU-RXMQYKEDSA-N
SMILES:
C[C@H](C(C)(C)C)O
Properties
Complexity:
51.7
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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