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4-Carboxyphenoxyacetic Acid

Catalog Number
ACM19360679
CAS Number
19360-67-9
Product Name
4-Carboxyphenoxyacetic Acid
Structure
Category
Customizable MOF Linkers
Synonyms
LABOTEST-BB LT00452725;4-CARBOXYPHENOXYACETIC ACID;ALPHA-CARBOXY-P-ANISIC ACID;RARECHEM AL BE 0254;4-(carboxymethoxy)benzoic acid;4-CARBOXYPHENOXYACETIC ACID TECH. 94%;p-carboxyphenoxyaceticacidtech94%;α-carboxy-p-anisic acid
IUPAC Name
4-(carboxymethoxy)benzoic acid
Molecular Weight
196.16
Molecular Formula
C9H8O5
InChI
InChI=1S/C9H8O5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key
LABJFIBQJFPXHZ-UHFFFAOYSA-N
Complexity
217
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
242-994-0
Exact Mass
196.03717335g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
196.03717335g/mol
NSC Number
190728
Rotatable Bond Count
4
Topological Polar Surface Area
83.8Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.3
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