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116113-33-8 | Undecanoic acid, 11-[4-(4-hydroxybenzoyl)phenoxy]-, methyl ester
CAS No: 116113-33-8 Catalog No: AG000BOE MDL No:
Product Description
Catalog Number:
AG000BOE
Chemical Name:
Undecanoic acid, 11-[4-(4-hydroxybenzoyl)phenoxy]-, methyl ester
CAS Number:
116113-33-8
Molecular Formula:
C25H32O5
Molecular Weight:
412.5186
IUPAC Name:
methyl 11-[4-(4-hydroxybenzoyl)phenoxy]undecanoate
InChI:
InChI=1S/C25H32O5/c1-29-24(27)10-8-6-4-2-3-5-7-9-19-30-23-17-13-21(14-18-23)25(28)20-11-15-22(26)16-12-20/h11-18,26H,2-10,19H2,1H3
InChI Key:
AACOPZXKXBTGHG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.225g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.526g/mol
Monoisotopic Mass:
412.225g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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