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75553-28-5 | Benzenepentanol, acetate
CAS No: 75553-28-5 Catalog No: AG005K5D MDL No:
Product Description
Catalog Number:
AG005K5D
Chemical Name:
Benzenepentanol, acetate
CAS Number:
75553-28-5
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
acetic acid;5-phenylpentan-1-ol
InChI:
InChI=1S/C11H16O.C2H4O2/c12-10-6-2-5-9-11-7-3-1-4-8-11;1-2(3)4/h1,3-4,7-8,12H,2,5-6,9-10H2;1H3,(H,3,4)
InChI Key:
ZIUGZTDQUCGGTQ-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCCCCCc1ccccc1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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