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88536-60-1 | 1-Hexanol, 2-methoxy-, acetate
CAS No: 88536-60-1 Catalog No: AG0045PD MDL No:
Product Description
Catalog Number:
AG0045PD
Chemical Name:
1-Hexanol, 2-methoxy-, acetate
CAS Number:
88536-60-1
Molecular Formula:
C9H20O4
Molecular Weight:
192.2527
IUPAC Name:
acetic acid;2-methoxyhexan-1-ol
InChI:
InChI=1S/C7H16O2.C2H4O2/c1-3-4-5-7(6-8)9-2;1-2(3)4/h7-8H,3-6H2,1-2H3;1H3,(H,3,4)
InChI Key:
HVVRGFBAONQVJA-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCC(OC)CO
Properties
Complexity:
85.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.255g/mol
Monoisotopic Mass:
192.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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