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85431-07-8 | Ethyl 4-(4-hydroxybutyl)benzoate
CAS No: 85431-07-8 Catalog No: AG004JY0 MDL No:MFCD23135623
Product Description
Catalog Number:
AG004JY0
Chemical Name:
Ethyl 4-(4-hydroxybutyl)benzoate
CAS Number:
85431-07-8
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD23135623
IUPAC Name:
ethyl 4-(4-hydroxybutyl)benzoate
InChI:
InChI=1S/C13H18O3/c1-2-16-13(15)12-8-6-11(7-9-12)5-3-4-10-14/h6-9,14H,2-5,10H2,1H3
InChI Key:
DEAHZHUWDRVSBC-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1)C(=O)OCC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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