AG003ACI

533-75-5 | 2-Hydroxycyclohepta-2,4,6-trienone

AG003ACI

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CAS Number	533-75-5
Catalog Number	AG003ACI(AGN-PC-0JK9PC)
Chemical Name	2-Hydroxycyclohepta-2,4,6-trienone
EC Number	208-577-2
IUPAC Name	2-hydroxycyclohepta-2,4,6-trien-1-one
InChI	InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChI Key	MDYOLVRUBBJPFM-UHFFFAOYSA-N
MDL Number	MFCD00004158
Molecular Formula	C7H6O2
Molecular Weight	122.1213
NSC Number	89303
SMILES	O=C1C(O)=CC=CC=C1
UNII	7L6DL16P1T
Synonyms	Tropolone, Tropolone, 533-75-5, 2-Hydroxycyclohepta-2,4,6-trienone, Purpurocatechol, 2-Hydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-, 2-hydroxycyclohepta-2,4,6-trien-1-one, 2-Hydroxytropone, 2-Hydroxy-2,4,6-cycloheptatrienone, UNII-7L6DL16P1T, MFCD00004158, Tropolone, 98%, CCRIS 6609, NSC89303, EINECS 208-577-2, NSC 89303, BRN 1904978, 7L6DL16P1T, CHEMBL121188, CHEBI:79966, MDYOLVRUBBJPFM-UHFFFAOYSA-N, Tropomyosins, 0TR, PubChem6330, NCIMech_000829, AC1L1VY5, DSSTox_CID_29376, DSSTox_RID_83491, DSSTox_GSID_49416, SCHEMBL42739, 4-08-00-00159 (Beilstein Handbook Reference), DTXSID8049416, SCHEMBL14016544, KS-00000KMJ, ZINC392003, Tox21_202924, BDBM50236983, CCG-35867, CT-243, NSC-89303, 2-Hydroxy-cyclohepta-2,4,6-trienone, AKOS015900394, Tropolone, purum, >=98.0% (GC), MCULE-1658872761, RP19452, TRA0059482, 2,6-Cycloheptatrien-1-one, 2-hydroxy-, 2-hydroxy-1-cyclohepta-2,4,6-trienone, NCGC00260470-01, 2-Hydroxy-2,4,6-cycloheptatriene-1-one, 2-oxidanylcyclohepta-2,4,6-trien-1-one, AC-25757, AK164435, AN-45657, AS-14018, CAS-533-75-5, LS-56180, NCI60_041986, SC-05125, SY009930, 2,4,6-Cycloheptatrien-1-one,2-hydroxy-, 2-hydroxy-2,4,6-cycloheptatrien -1-one, AB0015494, FT-0632328, ST50998276, MFCD00004158 (98%), 33T755, C15474, M-3527, (2E,4Z,6Z)-2-hydroxycyclohepta-2,4,6-trienone, A829552, I14-0049, W-105743, F0001-1377, Z1868163256, InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9, Tropolone, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production., tropolon, ?-Tropolone, Tropolone, 98% 1g, D0D7GL, C7H6O2, Tropolone, 98% - 1G 1g, C7-H6-O2, CID10789, ACN-041562, N005, T0606, D014334, 104-11-0,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.037g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	122.123g/mol
Monoisotopic Mass	122.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number