AG00C3VO

21905-86-2 | Cinnoline-4-carboxylic acid

AG00C3VO

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CAS Number	21905-86-2
Catalog Number	AG00C3VO(AGN-PC-0JLXUO)
Chemical Name	Cinnoline-4-carboxylic acid
EC Number	244-650-5
IUPAC Name	cinnoline-4-carboxylic acid
InChI	InChI=1S/C9H6N2O2/c12-9(13)7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)
InChI Key	ZKOMQFDQFTVPBZ-UHFFFAOYSA-N
MDL Number	MFCD00006813
Molecular Formula	C9H6N2O2
Molecular Weight	174.1561
NSC Number	75570
SMILES	OC(C1=C2C(C=CC=C2)=NN=C1)=O
UNII	548UJ2I0O2
Synonyms	Cinnoline-4-carboxylic acid, 21905-86-2, 4-Cinnolinecarboxylic acid, UNII-548UJ2I0O2, MLS002693949, 548UJ2I0O2, NSC75570, 4-cinnolinecarboxylic, 4-Cinnolinecarboxylicacid, AC1L3H4P, cinnoline 4-carboxylic acid, NCIOpen2_000512, SCHEMBL335334, CHEMBL1892963, CTK1A3782, KS-00000FXA, DTXSID80176318, ZKOMQFDQFTVPBZ-UHFFFAOYSA-N, HMS3079L17, ZINC404338, Cinnoline-4-carboxylic acid, 97%, EINECS 244-650-5, 1093AB, 1094AB, ANW-60527, MFCD00006813, NSC 75570, NSC-75570, AKOS015894285, MCULE-2191840174, AJ-22341, AK-94894, SMR001559887, DB-008551, TC-149272, FT-0081294, FT-0638164, ST24046328, ST51006940, A20630, I04-9961, J-014348, Z2687203878, C9H9IO, C9H6N2O2, 1-(4-Iodophenyl)propan-2-one, CID89099, 21906-36-5,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.159g/mol
Monoisotopic Mass	174.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number