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151223-12-0 | 1,3-Dioxolane-4-ethanol, 2,2-bis(1-methylethyl)-, (S)- (9CI)
CAS No: 151223-12-0 Catalog No: AG001N6K MDL No:
Product Description
Catalog Number:
AG001N6K
Chemical Name:
1,3-Dioxolane-4-ethanol, 2,2-bis(1-methylethyl)-, (S)- (9CI)
CAS Number:
151223-12-0
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
2-[(4S)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
InChI:
InChI=1S/C11H22O3/c1-8(2)11(9(3)4)13-7-10(14-11)5-6-12/h8-10,12H,5-7H2,1-4H3/t10-/m0/s1
InChI Key:
XFPZNMFFBDUEGH-JTQLQIEISA-N
SMILES:
OCC[C@H]1COC(O1)(C(C)C)C(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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