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189287-73-8 | Propanedioic acid, 2-[4-(2,2-dicarboxypropyl)phenyl]-2-methyl-
CAS No: 189287-73-8 Catalog No: AG002I83 MDL No:
Product Description
Catalog Number:
AG002I83
Chemical Name:
Propanedioic acid, 2-[4-(2,2-dicarboxypropyl)phenyl]-2-methyl-
CAS Number:
189287-73-8
Molecular Formula:
C15H16O8
Molecular Weight:
324.2827
IUPAC Name:
2-[[4-(1,1-dicarboxyethyl)phenyl]methyl]-2-methylpropanedioic acid
InChI:
InChI=1S/C15H16O8/c1-14(10(16)17,11(18)19)7-8-3-5-9(6-4-8)15(2,12(20)21)13(22)23/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChI Key:
ZEKFTEFIUIONLO-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)(Cc1ccc(cc1)C(C(=O)O)(C(=O)O)C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
324.285g/mol
Monoisotopic Mass:
324.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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