AG00BY8S

3331-46-2 | 9,10-Dihydrobenzo[a]pyren-7(8h)-one

AG00BY8S

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CAS Number	3331-46-2
Catalog Number	AG00BY8S(AGN-PC-0JM1FT)
Chemical Name	9,10-Dihydrobenzo[a]pyren-7(8h)-one
EC Number	222-055-1
IUPAC Name	9,10-dihydro-8H-benzo[a]pyren-7-one
InChI	InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2
InChI Key	AIGDHFJPKNZUOR-UHFFFAOYSA-N
MDL Number	MFCD00003601
Molecular Formula	C20H14O
Molecular Weight	270.3246
NSC Number	30830
SMILES	O=C1C2=CC3=CC=C(C4=C35)C=CC=C4C=CC5=C2CCC1
UNII	61Z04YQ9CJ
Synonyms	9,10-Dihydro-8H-benzo[def]chrysen-7-one, 3331-46-2, 9,10-dihydrobenzo[a]pyren-7(8h)-one, 9,10-Dihydrobenzo(a)pyren-7(8H)-one, 9,10-Dihydrobenzo[pqr]tetraphen-7(8H)-one, UNII-61Z04YQ9CJ, 9,10-Dihydrobenzo[a]pyrene-7(8H)-one, 61Z04YQ9CJ, 9,10-dihydrobenzo[a]pyrene-7[8h]-one, Benzo[a]pyren-7(8H)-one,9,10-dihydro-, 7-Oxo-7,8,9,10-tetrahydrobenzo(a)pyrene, 7-Oxo-7,8,9,10-tetrahydrobenzo[a]pyrene, NSC30830, EINECS 222-055-1, NSC 30830, PubChem13930, ACMC-209xrp, Benzo[a]pyren-7(8H)-one, 9,10-dihydro-, AC1L3UY6, AC1Q6P8N, DSSTox_CID_29127, DSSTox_RID_83346, DSSTox_GSID_49271, SCHEMBL531158, CHEMBL3183759, DTXSID1049271, CTK4H0366, AIGDHFJPKNZUOR-UHFFFAOYSA-N, ACT05049, ZINC1661373, Tox21_202913, ANW-48035, MFCD00003601, NSC-30830, 9,10-dihydrobenzo[a]pyren-7(8h)one, AKOS015899524, AS06637, 9,10-dihydro-8H-benzo[a]pyren-7-one, 7-Oxo-7,9,10-tetrahydrobenzo[a]pyrene, Benzo[a]pyren-7(8H)-one,10-dihydro-, NCGC00260459-01, AJ-28922, AS-37644, BR-44647, CJ-26842, CAS-3331-46-2, AB0006183, AX8033252, DB-068803, ST2419082, TC-136780, A5944, FT-0630208, ST50826037, W5501, 9,10-Dihydrobenzo[def]chrysen-7(8H)-one #, S-4467, 9,10-Dihydrobenzo[a]pyrene-7(8H)-one, 97%, 331D462, C-29980, J-019140, I14-11872, Benzo(a)pyren-7(8H)-one, 9,10-dihydro- (8CI)(9CI), pentacyclo[10.6.2.0(2),?.0?,(1)?.0(1)?,(2)?]icosa-1,7,9,11,13,15,17,19-octaen-6-one, C20H14O, CID95717, AR-1H5220, C20-H14-O, 34270-10-5,

Complexity	441
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.104g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.331g/mol
Monoisotopic Mass	270.104g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

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

Lot Number