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155409-96-4 | Benzoic acid, 4-[4-(ethenyloxy)butoxy]-
CAS No: 155409-96-4 Catalog No: AG001NWG MDL No:
Product Description
Catalog Number:
AG001NWG
Chemical Name:
Benzoic acid, 4-[4-(ethenyloxy)butoxy]-
CAS Number:
155409-96-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
4-(4-ethenoxybutoxy)benzoic acid
InChI:
InChI=1S/C13H16O4/c1-2-16-9-3-4-10-17-12-7-5-11(6-8-12)13(14)15/h2,5-8H,1,3-4,9-10H2,(H,14,15)
InChI Key:
DKDBFUYNVDBBIQ-UHFFFAOYSA-N
SMILES:
C=COCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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