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82189-55-7 | 3-Buten-1-ol, 2,3-dimethyl-, (S)-
CAS No: 82189-55-7 Catalog No: AG005HWG MDL No:
Product Description
Catalog Number:
AG005HWG
Chemical Name:
3-Buten-1-ol, 2,3-dimethyl-, (S)-
CAS Number:
82189-55-7
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
IUPAC Name:
(2S)-2,3-dimethylbut-3-en-1-ol
InChI:
InChI=1S/C6H12O/c1-5(2)6(3)4-7/h6-7H,1,4H2,2-3H3/t6-/m1/s1
InChI Key:
OSUIFWPTEFZCMB-ZCFIWIBFSA-N
SMILES:
C[C@@H](C(=C)C)CO
Properties
Complexity:
66.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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