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1928755-17-2 | Hexanoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1928755-17-2 Catalog No: AG002GEV MDL No:
Product Description
Catalog Number:
AG002GEV
Chemical Name:
Hexanoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1928755-17-2
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
tert-butyl 3-(hydroxymethyl)hexanoate
InChI:
InChI=1S/C11H22O3/c1-5-6-9(8-12)7-10(13)14-11(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key:
IBWYRBYPKZIRKL-UHFFFAOYSA-N
SMILES:
CCC[C@H](CC(=O)OC(C)(C)C)CO
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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