AG00CIXC

3490-37-7 | 4-(4-NITROPHENYL)-3-BUTEN-2-ONE

AG00CIXC

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CAS Number	3490-37-7
Catalog Number	AG00CIXC(AGN-PC-00FSJ1)
Chemical Name	4-(4-NITROPHENYL)-3-BUTEN-2-ONE
EC Number	213-422-7
IUPAC Name	(E)-4-(4-nitrophenyl)but-3-en-2-one
InChI	InChI=1S/C10H9NO3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2-7H,1H3/b3-2+
InChI Key	KMCRQJMZUHNLKJ-NSCUHMNNSA-N
MDL Number	MFCD00661313
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
NSC Number	68341
SMILES	CC(/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O
Synonyms	3490-37-7, 4-(4-nitrophenyl)but-3-en-2-one, (E)-4-(4-nitrophenyl)but-3-en-2-one, 4-(4-NITROPHENYL)-3-BUTEN-2-ONE, (3E)-4-(4-nitrophenyl)but-3-en-2-one, 4-(p-Nitrophenyl)-3-butene-2-one, (Z)-4-(4-Nitrophenyl)-3-buten-2-one, 946-49-6, NSC68341, 4-nitrobenzalacetone, EINECS 213-422-7, CHEMBL72829, SCHEMBL279483, SCHEMBL811912, AC1NT215, KMCRQJMZUHNLKJ-NSCUHMNNSA-N, [(E)-4-Nitrostyryl]methyl ketone, ZINC1695057, MFCD00661313, NSC-68341, RW3060, AKOS001377365, QC-2423, 3-Buten-2-one 4-[p-nitrophenyl]-cis-, AJ-30265, AS-19975, (3Z)-4-(4-Nitrophenyl)-3-buten-2-one, ST45113551, Z2776, 3-Buten-2-one, 4-(4-nitrophenyl)-, (Z)-, Z2719320254, 30625-98-0, C10H9NO3, C10-H9-N-O3, CID5374468,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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