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100038-14-0 | 2-Oxiranemethanol, 2-(1,1-dimethylethyl)-, (2S)-
CAS No: 100038-14-0 Catalog No: AG0000MY MDL No:
Product Description
Catalog Number:
AG0000MY
Chemical Name:
2-Oxiranemethanol, 2-(1,1-dimethylethyl)-, (2S)-
CAS Number:
100038-14-0
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
(2-tert-butyloxiran-2-yl)methanol
InChI:
InChI=1S/C7H14O2/c1-6(2,3)7(4-8)5-9-7/h8H,4-5H2,1-3H3
InChI Key:
FMBYRHUTUODDIU-UHFFFAOYSA-N
SMILES:
OC[C@@]1(OC1)C(C)(C)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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