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124249-85-0 | Benzoic acid, 4-(decyloxy)-, 4-hydroxyphenyl ester
CAS No: 124249-85-0 Catalog No: AG000LRZ MDL No:
Product Description
Catalog Number:
AG000LRZ
Chemical Name:
Benzoic acid, 4-(decyloxy)-, 4-hydroxyphenyl ester
CAS Number:
124249-85-0
Molecular Formula:
C23H30O4
Molecular Weight:
370.4819
IUPAC Name:
(4-hydroxyphenyl) 4-decoxybenzoate
InChI:
InChI=1S/C23H30O4/c1-2-3-4-5-6-7-8-9-18-26-21-14-10-19(11-15-21)23(25)27-22-16-12-20(24)13-17-22/h10-17,24H,2-9,18H2,1H3
InChI Key:
YCHRWODBTTZRGA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.214g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.489g/mol
Monoisotopic Mass:
370.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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