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84782-04-7 | 3-Octanol, propanoate
CAS No: 84782-04-7 Catalog No: AG004OMB MDL No:
Product Description
Catalog Number:
AG004OMB
Chemical Name:
3-Octanol, propanoate
CAS Number:
84782-04-7
Molecular Formula:
C11H24O3
Molecular Weight:
204.3065
IUPAC Name:
octan-3-ol;propanoic acid
InChI:
InChI=1S/C8H18O.C3H6O2/c1-3-5-6-7-8(9)4-2;1-2-3(4)5/h8-9H,3-7H2,1-2H3;2H2,1H3,(H,4,5)
InChI Key:
ARHUGFKQOCTHEI-UHFFFAOYSA-N
SMILES:
CCC(=O)O.CCCCCC(CC)O
Properties
Complexity:
92.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.173g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.31g/mol
Monoisotopic Mass:
204.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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