AG002Q3L

2498-66-0 | 1,2-Benzanthraquinone

AG002Q3L

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CAS Number	2498-66-0
Catalog Number	AG002Q3L(AGN-PC-0JKDCX)
Chemical Name	1,2-Benzanthraquinone
EC Number	219-693-8
IUPAC Name	benzo[a]anthracene-7,12-dione
InChI	InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H
InChI Key	LHMRXAIRPKSGDE-UHFFFAOYSA-N
MDL Number	MFCD00003596
Molecular Formula	C18H10O2
Molecular Weight	258.2708
NSC Number	7961
SMILES	C1=CC=CC=2C1=C1C(C3=CC=CC=C3C(C1=CC2)=O)=O
UNII	BL89U5YZBK
Synonyms	1,2-benzanthraquinone, 7,12-benz(a)anthraquinone, benz(a)anthracene-7,12-dione, 1,2-Benzanthraquinone, 2498-66-0, Tetraphene-7,12-dione, Benzanthraquinone, Benz[a]anthracene-7,12-dione, Sirius Yellow G, Benzanthracene-7,12-dione, 1,2-Benzoanthraquinone, BENZ(A)ANTHRACENE-7,12-DIONE, 1,2-Benzanthrachinon, 7,12-Benz(a)anthraquinone, 1,2-Benzo-9,10-anthraquinone, Benz[a]anthracene-7,12-quinone, Sirius Yellow G (VAN), UNII-BL89U5YZBK, NSC 7961, C.I. 59000, Benz(a)anthra-7,12-quinone, Benzo[a]anthracene-7,12-dione, Benz(a)anthracene-7,12-quinone, EINECS 219-693-8, BL89U5YZBK, BRN 2052941, Benz[a]anthra-7,12-quinone, benzo[b]phenanthrene-7,12-dione, zlchem 21, AC1L29MZ, 4-07-00-02644 (Beilstein Handbook Reference), SCHEMBL183078, benz A anthracene-7,12-dione, Benz-A-Anthracene-7,12-Dione, DTXSID8051916, CTK1A2542, NSC7961, ZLB0008, LHMRXAIRPKSGDE-UHFFFAOYSA-N, Benzo[a]anthracene-7,12-dione #, ACT05743, NSC-7961, ZINC3861589, ANW-73357, MFCD00003596, SBB069412, AKOS016008512, ACM2498660, MCULE-7106275012, VZ20384, KS-0000167O, AJ-46210, AK-81863, LS-27769, U868, AX8016792, TC-162102, TL8002038, B0018, FT-0606277, ST24031893, ST50826757, A817591, C-16071, 1,2-BenzanthraquinoneBenz(a)anthracene-7,12-dione, J-015761, S14-0608, 1,10-anthraquinone, C18H10O2, CID17253, C18-H10-O2, C077646,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.068g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.276g/mol
Monoisotopic Mass	258.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number