AG00HSZN

1337839-72-1 | 3-methoxy-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

AG00HSZN

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CAS Number	1337839-72-1
Catalog Number	AG00HSZN(AGN-PC-0WAMAK)
Chemical Name	3-methoxy-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
IUPAC Name	3-methoxy-5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile
InChI	InChI=1S/C12H11NO2/c1-15-12-6-10-8(5-9(12)7-13)3-2-4-11(10)14/h5-6H,2-4H2,1H3
InChI Key	HREDCXDGJJPZEW-UHFFFAOYSA-N
MDL Number	MFCD20462396
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
SMILES	N#CC(C=C1CCC2)=C(OC)C=C1C2=O
Synonyms	1337839-72-1, 3-Methoxy-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile, 3-METHOXY-5-OXO-6,7,8-TRIHYDRONAPHTHALENE-2-CARBONITRILE, AK172757, MFCD20462396, AKOS025395792, ZINC238388729, DS-8161, AX8297026,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.225g/mol
Monoisotopic Mass	201.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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