AG00BF4A

27113-22-0 | 1-(4-hydroxy-3-methoxyphenyl)decan-5-one

AG00BF4A

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CAS Number	27113-22-0
Catalog Number	AG00BF4A(AGN-PC-0JM0NG)
Chemical Name	1-(4-hydroxy-3-methoxyphenyl)decan-5-one
EC Number	248-228-1
FEMA Number	4665
IUPAC Name	1-(4-hydroxy-3-methoxyphenyl)decan-3-one
InChI	InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
InChI Key	CZNLTCTYLMYLHL-UHFFFAOYSA-N
MDL Number	MFCD01736103
Molecular Formula	C17H26O3
Molecular Weight	278.3865
SMILES	CCCCCCCC(CCC1=CC=C(O)C(OC)=C1)=O
UNII	BO24ID7E9U
Synonyms	(6)-paradol, 1-(4'-hydroxy-3'-methoxyphenyl)-3-decanone, 6-paradol, Paradol, 6-Paradol, 27113-22-0, [6]-Paradol, 5-Paradol, 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-, UNII-BO24ID7E9U, 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone, [6]-Gingerone, 1-(4-hydroxy-3-methoxyphenyl)decan-3-one, 1-(4-Hydroxy-3-methoxyphenyl)decan-5-one, EINECS 248-228-1, BRN 1984119, BO24ID7E9U, CHEBI:10137, CZNLTCTYLMYLHL-UHFFFAOYSA-N, Heptyl 4-hydroxy-3-methoxyphenethyl ketone, CCRIS 8519, AC1L3S3I, AC1Q5H8L, 2-08-00-00318 (Beilstein Handbook Reference), SCHEMBL971599, MEGxp0_001218, CHEMBL2071440, ACon1_001067, DTXSID90181574, BCP24208, ZINC1531857, 3956AH, MFCD01736103, CS-0873, NCGC00169709-01, AK547705, HY-14617, LS-59398, 1-(4-hydroxy-3-methoxy-phenyl)decan-3-one, 1-(4'-hydroxy-3'-methoxyphenyl)-3-decanone, 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone #, 1-(4'-hydroxy-3'-methoxyphenyl)-decan-3-one, C10482, W-5270, BRD-K84571636-001-01-4, C17H26O3, CID94378, AR-1H2507, C17-H26-O3, 1-(4-hydroxy-3-methoxyphenyl)-decan-3-one, A3700, A15205, 2130-17-8,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.188g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.392g/mol
Monoisotopic Mass	278.188g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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