AG002ZHB

3029-19-4 | 1-Pyrenecarboxaldehyde

AG002ZHB

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CAS Number	3029-19-4
Catalog Number	AG002ZHB(AGN-PC-0JOAEE)
Chemical Name	1-Pyrenecarboxaldehyde
EC Number	221-196-6
IUPAC Name	pyrene-1-carbaldehyde
InChI	InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
InChI Key	RCYFOPUXRMOLQM-UHFFFAOYSA-N
MDL Number	MFCD00004139
Molecular Formula	C17H10O
Molecular Weight	230.2607
NSC Number	30811
SMILES	O=CC1=C(C2=C34)C=CC4=CC=CC3=CC=C2C=C1
UNII	I9H95PVI1P
Synonyms	1-pyrenecarboxaldehyde, pyrene-1-aldehyde, 1-PYRENECARBOXALDEHYDE, Pyrene-1-carbaldehyde, 3029-19-4, 1-Formylpyrene, 1-Pyrenealdehyde, PYRENECARBOXALDEHYDE, 3-Formylpyrene, 3-Pyrenealdehyde, 3-Pyrenylaldehyde, Pyrene-1-aldehyde, 3-Pyrenecarboxaldehyde, 1-Pyrene carboxaldehyde, 1-Pyrenecarbaldehyde, NSC 30811, UNII-I9H95PVI1P, I9H95PVI1P, RCYFOPUXRMOLQM-UHFFFAOYSA-N, MFCD00004139, CCRIS 3163, pyrenecarbaldehyde, EINECS 221-196-6, pyrene carboxaldehyde, pyrene-1-carboxaldehyde, 1-Pyrene-carboxaldehyde, ACMC-209hea, AC1Q6PUX, AC1L5OS9, AC1Q6QH9, SCHEMBL52121, KSC224M2B, 1-Pyrenecarboxaldehyde, 99%, BIDD:GT0484, CTK1C4620, KS-00000UJE, DTXSID40184373, NSC30811, ZINC1661349, ZX-AT022249, 3153AB, ANW-26816, BBL027449, NSC-30811, STL377328, AKOS015840462, ACM3029194, MCULE-8361001969, OR22205, QC-1480, RTR-013014, AJ-28921, AK116478, AS-48903, CC-05011, CJ-06011, CJ-26841, SC-43664, AB0064282, AX8041575, DB-047748, ST2419814, TR-013014, 4CH-014005, FT-0608288, P1448, ST50825809, T7666, C-30172, J-017887, I14-109615, 4-Pyrenecarboxaldehyde, 1,3-INDANDIONE, C17H10O, AR-1L2630, C17-H10-O, CID232848, ACN-040475, 1-Pyrenecarboxaldehyde, 98% - 1G 1g, 3534-74-5, 606-23-5,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.073g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.266g/mol
Monoisotopic Mass	230.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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