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821798-36-1 | Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester
CAS No: 821798-36-1 Catalog No: AG00575D MDL No:
Product Description
Catalog Number:
AG00575D
Chemical Name:
Benzoic acid, 4-(4-hydroxybutoxy)-, 4-methoxyphenyl ester
CAS Number:
821798-36-1
Molecular Formula:
C18H20O5
Molecular Weight:
316.3484
IUPAC Name:
(4-methoxyphenyl) 4-(4-hydroxybutoxy)benzoate
InChI:
InChI=1S/C18H20O5/c1-21-15-8-10-17(11-9-15)23-18(20)14-4-6-16(7-5-14)22-13-3-2-12-19/h4-11,19H,2-3,12-13H2,1H3
InChI Key:
LZSQYKXKMYMTLZ-UHFFFAOYSA-N
SMILES:
OCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.353g/mol
Monoisotopic Mass:
316.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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