AG003DEE

5345-46-0 | 1,2-dihydroacenaphthylene-5-carbaldehyde

AG003DEE

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CAS Number	5345-46-0
Catalog Number	AG003DEE(AGN-PC-0JNA6F)
Chemical Name	1,2-dihydroacenaphthylene-5-carbaldehyde
IUPAC Name	1,2-dihydroacenaphthylene-5-carbaldehyde
InChI	InChI=1S/C13H10O/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-8H,4-5H2
InChI Key	VNEOTRCBGZQYJT-UHFFFAOYSA-N
MDL Number	MFCD00805838
Molecular Formula	C13H10O
Molecular Weight	182.2179
SMILES	O=CC1=C2C=CC=C3CCC(C=C1)=C32
Synonyms	1,2-dihydroacenaphthylene-5-carbaldehyde, 5345-46-0, 5-Acenaphthenecarboxaldehyde, 5-acenaphthylenecarboxaldehyde, 1,2-dihydro-, acenaphthene-5-carbaldehyde, 1,2-dihydro-5-acenaphthylenecarbaldehyde, NSC3048, ACMC-20ap6c, 5-acenaphthenecarbaldehyde, AC1L58QP, AC1Q6Q8D, SCHEMBL10967530, CTK4J8053, DTXSID30277607, VNEOTRCBGZQYJT-UHFFFAOYSA-N, ZINC967400, 5-Acenaphthenecarboxaldehyde, 95%, ALBB-010379, NSC-3048, 5100AE, BBL003510, MFCD00805838, NSC403208, SBB015077, STK520648, AKOS005172646, MCULE-7245070659, NSC-403208, 5-ACENAPHTHENECARBOXALDEHYDE 95, AJ-24488, ZB015419, AB0157414, DB-029266, ST4144611, TC-172299, 5-Acenaphthylenecarboxaldehyde,1,2-dihydro-, FT-0683243, W-7621, AE-907/30535012, I14-27507, C13H10O, AR-1G6912, CID220399, ACN-029756, 594-15-0,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.073g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.222g/mol
Monoisotopic Mass	182.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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