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182443-30-7 | Propanol, propoxy-, acetate
CAS No: 182443-30-7 Catalog No: AG0023W5 MDL No:
Product Description
Catalog Number:
AG0023W5
Chemical Name:
Propanol, propoxy-, acetate
CAS Number:
182443-30-7
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
acetic acid;1-propoxypropan-1-ol
InChI:
InChI=1S/C6H14O2.C2H4O2/c1-3-5-8-6(7)4-2;1-2(3)4/h6-7H,3-5H2,1-2H3;1H3,(H,3,4)
InChI Key:
GAFLGVMCFCQRHE-UHFFFAOYSA-N
SMILES:
CCCOC(OC(=O)C)CC
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.228g/mol
Monoisotopic Mass:
178.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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