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137407-31-9 | Benzoic acid, 4-[(6-hydroxyhexyl)oxy]-, 4-methoxyphenyl ester
CAS No: 137407-31-9 Catalog No: AG00138L MDL No:MFCD00191513
Product Description
Catalog Number:
AG00138L
Chemical Name:
Benzoic acid, 4-[(6-hydroxyhexyl)oxy]-, 4-methoxyphenyl ester
CAS Number:
137407-31-9
Molecular Formula:
C20H24O5
Molecular Weight:
344.4016
MDL Number:
MFCD00191513
IUPAC Name:
(4-methoxyphenyl) 4-(6-hydroxyhexoxy)benzoate
InChI:
InChI=1S/C20H24O5/c1-23-17-10-12-19(13-11-17)25-20(22)16-6-8-18(9-7-16)24-15-5-3-2-4-14-21/h6-13,21H,2-5,14-15H2,1H3
InChI Key:
KTTALHXKXPIECT-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.407g/mol
Monoisotopic Mass:
344.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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