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73839-20-0 | Hexanoic acid,6-hydroxy-, 1,1-dimethylethyl ester
CAS No: 73839-20-0 Catalog No: AG005KBG MDL No:
Product Description
Catalog Number:
AG005KBG
Chemical Name:
Hexanoic acid,6-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
73839-20-0
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
tert-butyl 6-hydroxyhexanoate
InChI:
InChI=1S/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3
InChI Key:
AKNVIQFNWMMKEE-UHFFFAOYSA-N
SMILES:
OCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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