AG003EM0

495-41-0 | 1-Phenyl-but-2-en-1-one

AG003EM0

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CAS Number	495-41-0
Catalog Number	AG003EM0(AGN-PC-0JLA4K)
Chemical Name	1-Phenyl-but-2-en-1-one
EC Number	207-800-0
IUPAC Name	(E)-1-phenylbut-2-en-1-one
InChI	InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
InChI Key	FUJZJBCWPIOHHN-QHHAFSJGSA-N
MDL Number	MFCD00059386
Molecular Formula	C10H10O
Molecular Weight	146.1858
SMILES	CC=CC(=O)C1=CC=CC=C1
UNII	S8003HHM9W
Synonyms	1-Phenyl-2-buten-1-one, 495-41-0, 1-Phenyl-but-2-en-1-one, Crotonophenone, 2-Butenophenone, Phenyl propenyl ketone, Phenyl 1-propenyl ketone, 35845-66-0, trans-1-Phenyl-2-buten-1-one, Ethylideneacetophenone, (E)-1-phenylbut-2-en-1-one, 2-Buten-1-one, 1-phenyl-, Crotonoylbenzene, UNII-S8003HHM9W, (E)-1-phenyl-2-buten-1-one, NSC-28846, S8003HHM9W, FUJZJBCWPIOHHN-QHHAFSJGSA-N, 1-Benzoylpropene, (E)-1-Benzoyl-1-propene, (2E)-1-Phenyl-2-buten-1-one, trans-Crotonophenone, EINECS 207-800-0, NSC 518668, 2-Buten-1-one, 1-phenyl-, (E)-, 1-Benzoyl-1-propene, 2-Buten-1-one, 1-phenyl-, (2E)-, PubChem14016, AC1L5MRT, AC1Q5BJC, AC1Q5CNZ, DTXSID30189392, (E)-1-phenyl-but-2-en-1-one, NSC28846, ZINC5606416, 6705AB, FC1054, MFCD00059386, NSC518668, (2E)-1-Phenyl-2-buten-1-one #, AKOS015888282, NSC-518668, AJ-54403, AS-38225, DB-069268, TC-119530, TX-018027, P0216, X-3936, trans-1-Phenyl-2-buten-1-one, technical, 80%, 495P410, A822997, A827739, I01-7600, I01-8268, I01-10429, 1-phenylbut-2-en-1-one, C10H10O, AR-1D9772, AR-1I2743, C10-H10-O, CID231934, ACN-045511, 51687-73-1, 5446-70-8,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	146.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.189g/mol
Monoisotopic Mass	146.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code

Certificate of Analysis

Lot Number