AG00CMX4

41552-07-2 | 5-Hydroxy-6-methyl-3,4-dihydronaphthalen-1(2H)-one

AG00CMX4

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CAS Number	41552-07-2
Catalog Number	AG00CMX4(AGN-PC-0OABZD)
Chemical Name	5-Hydroxy-6-methyl-3,4-dihydronaphthalen-1(2H)-one
IUPAC Name	5-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
InChI	InChI=1S/C11H12O2/c1-7-5-6-8-9(11(7)13)3-2-4-10(8)12/h5-6,13H,2-4H2,1H3
InChI Key	NDLFNSWXWAFJSS-UHFFFAOYSA-N
MDL Number	MFCD18208922
Molecular Formula	C11H12O2
Molecular Weight	176.2118
SMILES	O=C1CCCC2=C1C=CC(C)=C2O
Synonyms	41552-07-2, 5-Hydroxy-6-methyl-3,4-dihydronaphthalen-1(2H)-one, 5-HYDROXY-6-METHYL-2,3,4-TRIHYDRONAPHTHALEN-1-ONE, 1-oxo-5-hydroxy-6-methyl-1,2,3,4-tetrahydronaphthalene, AMOT0742, MFCD18208922, ZINC98181662, AKOS024462754, DS-9795, AK160830, AJ-142769, FT-0768071, 5-hydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one, 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-6-methyl-, 5-hydroxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-one, 1-keto-5-hydroxy-6-methyl-1,2,3,4-tetrahydro-naphthalene, 5-HYDROXY-6-METHYL-2,3,4-TRI HYDRONAPHTHALEN-1-ONE,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.215g/mol
Monoisotopic Mass	176.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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