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13265-02-6 | Benzoic acid, 2-[(1-oxo-2-propylpentyl)oxy]-
CAS No: 13265-02-6 Catalog No: AG0010YK MDL No:
Product Description
Catalog Number:
AG0010YK
Chemical Name:
Benzoic acid, 2-[(1-oxo-2-propylpentyl)oxy]-
CAS Number:
13265-02-6
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
2-(2-propylpentanoyloxy)benzoic acid
InChI:
InChI=1S/C15H20O4/c1-3-7-11(8-4-2)15(18)19-13-10-6-5-9-12(13)14(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)
InChI Key:
HILHGPGUHSJXAX-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)Oc1ccccc1C(=O)O)CCC
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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