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3-(4-Carboxyphenoxy)-Phthalicacid

Catalog Number
ACM198330120-1
CAS Number
198330-12-0
Product Name
3-(4-Carboxyphenoxy)-Phthalicacid
Category
Customizable MOF Linkers
IUPAC Name
3-(4-carboxyphenoxy)phthalic acid
Molecular Weight
302.23g/mol
Molecular Formula
C15H10O7
InChI
InChI=1S/C15H10O7/c16-13(17)8-4-6-9(7-5-8)22-11-3-1-2-10(14(18)19)12(11)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChI Key
XIFOTMQYGCBQDI-UHFFFAOYSA-N
Complexity
439
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
302.04265265g/mol
Formal Charge
0
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
302.04265265g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
121Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2
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