4-CPPC

CAT: 0926-EBA55370-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-EBA55370-01Size:5 mg

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CAS Number

29553-70-6

Smiles

C1=CC (=CC (=C1) C (=O) O) C2=CC (=NC=C2C (=O) O) C (=O) O

Molecular Formula

C14H9NO6

Molecular Weight

287.22 g/mol

Controlled

Chemical Information

4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic Acid

CAS Number	29553-70-6
PubChem CID	893698
IUPAC Name	4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
Molecular Formula	C14H9NO6
Molecular Weight	287.22
XLogP	1.4
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	437

SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)

InChIKey

NBVHLJGGHJLTGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29553-70-6

CID: 893698

Formula: C14H9NO6

MW: 287.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.22
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	287.04298701
Monoisotopic Mass	287.04298701
Topological Polar Surface Area	125 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	437
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline
JXB85075-01	4,4,4-Trifluorobutanethioamide
AAA40687	4,4,4-Trifluorobutanal
FCA23456-01	4- (4-Methoxyphenyl) -4-oxobutanenitrile
FT47010-01	4,4',4''-Trimethoxytrityl chloride
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol

Catalog	Name
MBS5785362	4-CPPC
BLG-D127-025	Cp2C /CppC
MBS1134588-01	Recombinant Neisseria gonorrhoeae Cryptic plasmid protein C (cppC)
VAng-Wyb2088-1mgEcoli	Recombinant Neisseria Gonorrhoeae cppC Protein (aa 1-205)
MBS256046-01	P1, P2- Di- (cytidine- 5')- diphosphate (Cp2C / CppC)
D 127-025	P¹, P²- Di- (cytidine- 5') - diphosphate (Cp₂C / CppC), sodium salt
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde