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23293-74-5 | 3-Pentanol, 3-ethyl-, 3-benzoate
CAS No: 23293-74-5 Catalog No: AG002MTB MDL No:
Product Description
Catalog Number:
AG002MTB
Chemical Name:
3-Pentanol, 3-ethyl-, 3-benzoate
CAS Number:
23293-74-5
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
benzoic acid;3-ethylpentan-3-ol
InChI:
InChI=1S/C7H6O2.C7H16O/c8-7(9)6-4-2-1-3-5-6;1-4-7(8,5-2)6-3/h1-5H,(H,8,9);8H,4-6H2,1-3H3
InChI Key:
SNHYSAUFSOQKOL-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)c1ccccc1)(CC)CC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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