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89389-87-7 | 3-Hexanol, 5,5-dimethyl-, acetate
CAS No: 89389-87-7 Catalog No: AG003WD2 MDL No:
Product Description
Catalog Number:
AG003WD2
Chemical Name:
3-Hexanol, 5,5-dimethyl-, acetate
CAS Number:
89389-87-7
Molecular Formula:
C10H22O3
Molecular Weight:
190.2799
IUPAC Name:
acetic acid;5,5-dimethylhexan-3-ol
InChI:
InChI=1S/C8H18O.C2H4O2/c1-5-7(9)6-8(2,3)4;1-2(3)4/h7,9H,5-6H2,1-4H3;1H3,(H,3,4)
InChI Key:
UMTYUSBTFRIDPL-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCC(CC(C)(C)C)O
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.283g/mol
Monoisotopic Mass:
190.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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