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3-(carboxymethyl)-5-(3-methoxyphenyl)heptanedioic acid

3-(carboxymethyl)-5-(3-methoxyphenyl)heptanedioic acid

Formula: C16H20O7

SMILES: COC1=CC=CC(=C1)C(CC(CC(O)=O)CC(O)=O)CC(O)=O

IUPAC: 3-(carboxymethyl)-5-(3-methoxyphenyl)heptanedioic acid

InChI: InChI=1/C16H20O7/c1-23-13-4-2-3-11(8-13)12(9-16(21)22)5-10(6-14(17)18)7-15(19)20/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,18)(H,19,20)(H,21,22)

Composition: C (59.25%), H (6.22%), O (34.53%)

Molar Mass: 324.329

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 324.120902984
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey DNURMAVVMAOKCH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.26
Topological Polar Surface Area 121.13
Polarizability 31.1
Ring Count 1
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H20O7 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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