AG007RLT

18514-84-6 | Cinnolin-4(1H)-one

AG007RLT

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CAS Number	18514-84-6
Catalog Number	AG007RLT(AGN-PC-0JNT21)
Chemical Name	Cinnolin-4(1H)-one
IUPAC Name	1H-cinnolin-4-one
InChI	InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChI Key	UFMBERDMCRCVSM-UHFFFAOYSA-N
MDL Number	MFCD08704234
Molecular Formula	C8H6N2O
Molecular Weight	146.1460
NSC Number	81669
SMILES	N1N=CC(C2=CC=CC=C12)=O
UNII	KUS8838BCK
Synonyms	Cinnolin-4-ol, CINNOLIN-4(1H)-ONE, 875-66-1, 18514-84-6, 1H-cinnolin-4-one, 4-Cinnolinol, 4-HYDROXYCINNOLINE, 4-Hydroxy-cinnoline, 4(1H)-Cinnolinone, 1,4-DIHYDROCINNOLIN-4-ONE, NSC81669, UNII-KUS8838BCK, KUS8838BCK, MLS000760649, SMR000370701, 4-cinnolinone, cinnoline-4-one, NSC 81669, (4-Hydroxy)cinnoline, Cinnoline-4(1H)-one, AC1L5T7I, AC1Q6B7X, NCIOpen2_000914, 4-oxo-1,4-dihydrocinnoline, SCHEMBL276532, CHEMBL1625471, 1H-cinnolin-4-one;hydrochloride, 4(1H)-Cinnolinone, AldrichCPR, BDBM75067, CTK0H2210, CTK3F0305, DTXSID20236364, cid_16196864, UFMBERDMCRCVSM-UHFFFAOYSA-N, ALBB-019489, KS-00000MA7, KS-00000O5E, ZINC3888522, ANW-49583, ANW-51091, MFCD00956158, MFCD08704234, NSC-81669, SBB086478, AKOS000266168, AKOS005135837, ACN-049386, DS-0632, GS-4067, HP71083, MB06564, MCULE-4273595324, RP21059, NCGC00246127-01, AC-27099, AJ-47315, AK-28151, AK-46528, BR-28151, BR-46528, CJ-11190, FS002114, SC-31401, AB0023024, AB0027178, DB-011523, ST2406743, TR-027526, 4CH-014541, 4CH-017767, CS-0088124, FT-0728492, W4006, W8983, S-4949, S-5899, Z-8606, Z-8607, J-515518, I14-33849, C8H6N2O, AR-1G1988, CID255799, 5234-26-4, 88966-69-2,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.149g/mol
Monoisotopic Mass	146.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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