AG003B20

579-07-7 | 1-Phenylpropane-1,2-dione

AG003B20

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CAS Number	579-07-7
Catalog Number	AG003B20(AGN-PC-0JK9ZY)
Chemical Name	1-Phenylpropane-1,2-dione
EC Number	209-435-2
FEMA Number	3226
IUPAC Name	1-phenylpropane-1,2-dione
InChI	InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key	BVQVLAIMHVDZEL-UHFFFAOYSA-N
MDL Number	MFCD00008755
Molecular Formula	C9H8O2
Molecular Weight	148.1586
NSC Number	7643
SMILES	CC(C(C1=CC=CC=C1)=O)=O
UNII	ZB5XA3GD0I
Synonyms	1-phenyl-1,2-propanedione, pyruvophenone, 1-PHENYL-1,2-PROPANEDIONE, 1-Phenylpropane-1,2-dione, 579-07-7, Acetylbenzoyl, Acetyl benzoyl, 1,2-Propanedione, 1-phenyl-, Benzoylacetyl, Methylphenylglyoxal, Pyruvophenone, Phenylmethyldiketone, Benzoyl methyl ketone, Methyl phenyl diketone, 3-Phenyl-2,3-propanedione, Methyl phenyl glyoxal, Phenyl methyl diketone, UNII-ZB5XA3GD0I, 1-phenyl-1,2-propandione, 1-Phenyl-propane-1,2-dione, FEMA No. 3226, CCRIS 6297, NSC 7643, EINECS 209-435-2, ZB5XA3GD0I, AI3-23868, CHEBI:63552, BVQVLAIMHVDZEL-UHFFFAOYSA-N, MFCD00008755, 1-Phenyl-1,2-propanedione, 98%, phenyl-propane dione, alpha-keto-propiophenone, ACMC-1ATOH, Phenyl-1,2-Propanedione, 1-phenyl-1,2-dioxopropane, 1-phenyl-1,2-propane dione, KSC494S9L, SCHEMBL180411, AC1L1X71, CHEMBL192258, SCHEMBL8670415, DTXSID3060372, BDBM22724, CTK3J4995, FEMA 3226, NSC7643, NSC-7643, ZINC1683675, 1-Phenyl-1,2-propanedione, 99%, ANW-32826, SBB064017, AKOS003382258, CS-W019544, MCULE-5571144917, NE10607, 1-Phenyl-1,2-propanedione, 98%, FG, AJ-29774, AK116651, AN-21476, AS-11744, CJ-06351, CJ-27768, SC-81678, SY036428, AB1006062, DB-003204, LS-179806, RT-002303, ST2415466, 4CH-014605, AM20040761, FT-0608215, P0210, ST45024211, MFCD00008755 (98%), C17268, 579P077, A831668, W-105429, InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H, 1, 1-phenyl-, D02TLP, C9H8O2, Phenyl-1,2-propanedione, 1-, C9-H8-O2, CID11363, 1-Phenyl-1,2-propanedione, 98% - 1G 1g, C100349,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.161g/mol
Monoisotopic Mass	148.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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