AG003I5W

38982-12-6 | 3-(9-Anthryl)acrylaldehyde

AG003I5W

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CAS Number	38982-12-6
Catalog Number	AG003I5W(AGN-PC-0KNVYF)
Chemical Name	3-(9-Anthryl)acrylaldehyde
EC Number	254-235-0
IUPAC Name	(E)-3-anthracen-9-ylprop-2-enal
InChI	InChI=1S/C17H12O/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H/b10-5+
InChI Key	NLHDGEXLFCDTHQ-BJMVGYQFSA-N
MDL Number	MFCD09751223
Molecular Formula	C17H12O
Molecular Weight	232.2766
SMILES	C1=CC=CC2=CC3=CC=CC=C3C(=C12)C=CC=O
Synonyms	38982-12-6, 3-(9-Anthryl)acrolein, 3-(9-Anthryl)acrylaldehyde, 3-(Anthracen-9-yl)acrylaldehyde, (E)-3-anthracen-9-ylprop-2-enal, EINECS 254-235-0, 3-(9-anthryl) acrolein, Anthracene-9-propenal, EC 254-235-0, AC1O4DF1, 3-(9-anthryl) acrylaldehyde, SCHEMBL1308315, Jsp006789, (E)-3-(9-Anthryl)acrylaldehyde, MFCD09751223, ZINC22116439, (E)-3-(9-anthracenyl)-2-propenal, (E)-3-(anthracen-9-yl)acrylaldehyde, AKOS015840928, AKOS025311054, ACM38982126, 3-(9-Anthryl)-2-propenal, AldrichCPR, AK173149, N960, TR-015667, A824361, I14-0872, 3- acrylaldehyde, C17H12O, C17-H12-O, CID6365417, (4-Hydroxyphenyl)-2-butanone beta-d-glucoside, 4-[4-(beta-d-glucopyranosyloxy)phenyl]-2-butanone,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	232.089g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.282g/mol
Monoisotopic Mass	232.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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