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88605-83-8 | Benzoic acid, 3-hydroxy-, pentyl ester
CAS No: 88605-83-8 Catalog No: AG004CBJ MDL No:
Product Description
Catalog Number:
AG004CBJ
Chemical Name:
Benzoic acid, 3-hydroxy-, pentyl ester
CAS Number:
88605-83-8
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
pentyl 3-hydroxybenzoate
InChI:
InChI=1S/C12H16O3/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h5-7,9,13H,2-4,8H2,1H3
InChI Key:
GWLMUYHSINLECC-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1cccc(c1)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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