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189028-85-1 | Pentanedioic acid, 2-[4-(1-methylethoxy)phenyl]-
CAS No: 189028-85-1 Catalog No: AG002HQF MDL No:
Product Description
Catalog Number:
AG002HQF
Chemical Name:
Pentanedioic acid, 2-[4-(1-methylethoxy)phenyl]-
CAS Number:
189028-85-1
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
IUPAC Name:
2-(4-propan-2-yloxyphenyl)pentanedioic acid
InChI:
InChI=1S/C14H18O5/c1-9(2)19-11-5-3-10(4-6-11)12(14(17)18)7-8-13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
MFPOIELBDSUKKQ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C(C(=O)O)CCC(=O)O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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