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123910-88-3 | 4-(4-Hydroxybutyl)benzoic acid Methyl ester
CAS No: 123910-88-3 Catalog No: AG000L7V MDL No:MFCD12547324
Product Description
Catalog Number:
AG000L7V
Chemical Name:
4-(4-Hydroxybutyl)benzoic acid Methyl ester
CAS Number:
123910-88-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD12547324
IUPAC Name:
methyl 4-(4-hydroxybutyl)benzoate
InChI:
InChI=1S/C12H16O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3
InChI Key:
KVKWRSNRAXOBFC-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1)C(=O)OC
Properties
Complexity:
183
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:
2.6
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