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140918-54-3 | Benzoic acid, 4-[[8-[(1-oxo-2-propen-1-yl)oxy]octyl]oxy]-
CAS No: 140918-54-3 Catalog No: AG001FN6 MDL No:MFCD23381869
Product Description
Catalog Number:
AG001FN6
Chemical Name:
Benzoic acid, 4-[[8-[(1-oxo-2-propen-1-yl)oxy]octyl]oxy]-
CAS Number:
140918-54-3
Molecular Formula:
C18H24O5
Molecular Weight:
320.3802
MDL Number:
MFCD23381869
IUPAC Name:
4-(8-prop-2-enoyloxyoctoxy)benzoic acid
InChI:
InChI=1S/C18H24O5/c1-2-17(19)23-14-8-6-4-3-5-7-13-22-16-11-9-15(10-12-16)18(20)21/h2,9-12H,1,3-8,13-14H2,(H,20,21)
InChI Key:
NILHWSPFJLBSCB-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.385g/mol
Monoisotopic Mass:
320.162g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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