AG00I49B

21917-86-2 | 7,8-Dihydro-5(6h)-isoquinolinone

AG00I49B

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CAS Number	21917-86-2
Catalog Number	AG00I49B(AGN-PC-0ND1EE)
Chemical Name	7,8-Dihydro-5(6h)-isoquinolinone
IUPAC Name	7,8-dihydro-6H-isoquinolin-5-one
InChI	InChI=1S/C9H9NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h4-6H,1-3H2
InChI Key	AGSMKBYNAKIVTB-UHFFFAOYSA-N
MDL Number	MFCD08235026
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	O=C1CCCC2=C1C=CN=C2
Synonyms	7,8-Dihydroisoquinolin-5(6H)-one, 21917-86-2, 7,8-dihydro-6H-isoquinolin-5-one, 7,8-DIHYDRO-5(6H)-ISOQUINOLINONE, 5(6H)-ISOQUINOLINONE, 7,8-DIHYDRO-, PubChem24238, SCHEMBL2877256, CHEMBL3585999, CTK4E7969, DTXSID10448696, AGSMKBYNAKIVTB-UHFFFAOYSA-N, ANW-66624, FCH858827, MFCD08235026, ZINC20975150, 5(6H)-Isoquinolinone,7,8-dihydro-, 7,8-Dihydroisoquinolin-5(6H);-one, 5,6,7,8-tetrahydroisoquinolin-5-one, AKOS006284255, AB43737, CD-1348, CS-W022523, 5,6,7,8-Tetrahydroisoquinoline-5-one, AJ-78027, AK-34141, AN-16490, AS-55118, BC679513, SC-14614, AX8110142, DB-080721, ST2406532, TC-155369, 4CH-017465, AM20050957, FT-0648963, Z-5432, 917D862, A815753, I14-11052, 7,8-DIHYDROISOQUINOLIN-5 -ONE, CID10931584, Methyl 2-bromo-1-methyl-1H-imidazole-5-carboxylate, 120781-02-4,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number