Text Search
Structure Search

5-[(4-carboxyphenyl)methoxy]benzene-1,3-dicarboxylic acid

5-[(4-carboxyphenyl)methoxy]benzene-1,3-dicarboxylic acid

CAS: 1050912-62-3

Formula: C16H12O7

SMILES: OC(=O)C1=CC=C(COC2=CC(=CC(=C2)C(O)=O)C(O)=O)C=C1

IUPAC: 5-[(4-carboxyphenyl)methoxy]benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C16H12O7/c17-14(18)10-3-1-9(2-4-10)8-23-13-6-11(15(19)20)5-12(7-13)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)

Composition: C (60.76%), H (3.82%), O (35.41%)

Molar Mass: 316.265

Atom Count: 35

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 316.058302726
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey GOZATJNCMKPSAV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.9
Topological Polar Surface Area 121.13
Polarizability 29.55
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1050912-62-3 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1050912-62-3 $58.01-$274.90$58.01$100.88$274.90
Request Quote