AG00C3E3

24331-94-0 | 1,4-Dihydro-3(2H)-isoquinolinone

AG00C3E3

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CAS Number	24331-94-0
Catalog Number	AG00C3E3(AGN-PC-0JLYO7)
Chemical Name	1,4-Dihydro-3(2H)-isoquinolinone
EC Number	246-174-3
IUPAC Name	2,4-dihydro-1H-isoquinolin-3-one
InChI	InChI=1S/C9H9NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-4H,5-6H2,(H,10,11)
InChI Key	MGZGPQCRWVOGFE-UHFFFAOYSA-N
MDL Number	MFCD03460354
Molecular Formula	C9H9NO
Molecular Weight	147.1739
NSC Number	134509
SMILES	O=C1CC2=C(CN1)C=CC=C2
Synonyms	1,4-Dihydro-3(2H)-isoquinolinone, 24331-94-0, 1,4-dihydroisoquinolin-3(2H)-one, 1,4-Dihydro-2H-isoquinolin-3-one, 1,2,3,4-tetrahydroisoquinolin-3-one, 1,2-dihydroisoquinolin-3(4H)-one, CHEMBL1210771, 2,4-dihydro-1H-isoquinolin-3-one, 3(2H)-Isoquinolinone,1,4-dihydro-, 3(2H)-ISOQUINOLINONE, 1,4-DIHYDRO-, EINECS 246-174-3, NSC134509, ACMC-209gax, AC1Q1HKN, SCHEMBL89023, AC1L3K20, SCHEMBL2490656, CTK4F3406, DTXSID90179072, MGZGPQCRWVOGFE-UHFFFAOYSA-N, 1,4-dihydro-3-hydroxyisoquinoline, ZINC4202815, ANW-25399, BDBM50322997, MFCD03460354, STL265913, 1,2-dihydroisoquinolin-3-(4H)-one, AKOS006344960, AB15535, CD-1707, MCULE-7313339331, NSC-134509, RP21141, RP21142, 3-oxo-1,2,3,4-tetrahydroisoquinoline, AJ-48511, CJ-11450, EN000611, SC-90927, 1,4-Dihydro-3(2H)-isoquinolinone, 95%, TC-010143, AM20030439, FT-0648811, V4626, A-7423, D30080, 331D940, J-503994, I14-12338, F1285-0717, Z2230911536, C9H9NO, C9-H9-N-O, KST-1B2224, CID90469, AR-1B7756, 24967-10-0,

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	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number