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6963-44-6 | 1,5-Diacetoxypentane, 98%
CAS No: 6963-44-6 Catalog No: AG003DPX MDL No:MFCD00014985
Product Description
Catalog Number:
AG003DPX
Chemical Name:
1,5-Diacetoxypentane, 98%
CAS Number:
6963-44-6
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00014985
IUPAC Name:
5-acetyloxypentyl acetate
InChI:
InChI=1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3
InChI Key:
PIJBVCVBCQOWMM-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCCCOC(=O)C
EC Number:
230-161-4
NSC Number:
53781
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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