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88262-22-0 | Acetic acid, [5-[(3-methyl-2-butenyl)oxy]-2-(1-oxopropyl)phenoxy]-
CAS No: 88262-22-0 Catalog No: AG004A6L MDL No:
Product Description
Catalog Number:
AG004A6L
Chemical Name:
Acetic acid, [5-[(3-methyl-2-butenyl)oxy]-2-(1-oxopropyl)phenoxy]-
CAS Number:
88262-22-0
Molecular Formula:
C16H20O5
Molecular Weight:
292.3270
IUPAC Name:
2-[5-(3-methylbut-2-enoxy)-2-propanoylphenoxy]acetic acid
InChI:
InChI=1S/C16H20O5/c1-4-14(17)13-6-5-12(20-8-7-11(2)3)9-15(13)21-10-16(18)19/h5-7,9H,4,8,10H2,1-3H3,(H,18,19)
InChI Key:
VRMBHHPLADKZPF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1OCC(=O)O)OCC=C(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.331g/mol
Monoisotopic Mass:
292.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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