AG003DS8

331711-99-0 | Naphthalene-1,8-diyl dibenzoate

AG003DS8

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CAS Number	331711-99-0
Catalog Number	AG003DS8(AGN-PC-048T7W)
Chemical Name	Naphthalene-1,8-diyl dibenzoate
EC Number	810-797-4
IUPAC Name	(8-benzoyloxynaphthalen-1-yl) benzoate
InChI	InChI=1S/C24H16O4/c25-23(18-9-3-1-4-10-18)27-20-15-7-13-17-14-8-16-21(22(17)20)28-24(26)19-11-5-2-6-12-19/h1-16H
InChI Key	DFCIKCMSXYOIQD-UHFFFAOYSA-N
MDL Number	MFCD01001009
Molecular Formula	C24H16O4
Molecular Weight	368.3814
SMILES	O=C(OC1=CC=CC2=CC=CC(OC(=O)C3=CC=CC=C3)=C12)C1=CC=CC=C1
Synonyms	331711-99-0, Naphthalene-1,8-diyl dibenzoate, 1,8-NAPHTHALENEDIYL DIBENZOATE, (8-benzoyloxynaphthalen-1-yl) benzoate, AK146248, C24H16O4, Oprea1_712522, Oprea1_803579, 1,8-NaphthalenediylDibenzoate, 1,8-Naphthalenediol dibenzoate, SCHEMBL12355077, KS-00000BT8, 5028AJ, MFCD01001009, ZINC95933684, AKOS022185717, CS-W002724, DS-8484, TRA-0178216, AC-29451, SY027344, AJ-138212, AX8268830, 4CH-002138, FT-0725870, ST24048783, A19240, MFCD01001009 (95+%),

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	368.105g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	368.388g/mol
Monoisotopic Mass	368.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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