AG003O4R

2550-26-7 | 4-Penylbutan-2-one

AG003O4R

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CAS Number	2550-26-7
Catalog Number	AG003O4R(AGN-PC-00AN0R)
Chemical Name	4-Penylbutan-2-one
EC Number	219-847-4
IUPAC Name	4-phenylbutan-2-one
InChI	InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key	AKGGYBADQZYZPD-UHFFFAOYSA-N
MDL Number	MFCD00008790
Molecular Formula	C10H12O
Molecular Weight	148.2017
SMILES	CC(CCC1=CC=CC=C1)=O
UNII	UZM5QH16YW
Synonyms	benzyl acetone, Nachal1, BENZYLACETONE, 4-Phenylbutan-2-one, 2550-26-7, 4-Phenyl-2-butanone, 2-Butanone, 4-phenyl-, 4-Penylbutan-2-one, 1-Phenyl-3-butanone, Methyl phenethyl ketone, Methyl 2-phenylethyl ketone, Benzyl acetone, Phenethyl methyl ketone, Methyl phenylethyl ketone, NSC 813, UNII-UZM5QH16YW, NSC 44829, beta-Phenylethyl methyl ketone, 4-Phenyl-butan-2-one, EINECS 219-847-4, MFCD00008790, UZM5QH16YW, BRN 1907123, AI3-15123, AKGGYBADQZYZPD-UHFFFAOYSA-N, Benzylacetone, 99%, DSSTox_CID_13241, DSSTox_RID_79056, DSSTox_GSID_33241, CAS-2550-26-7, 4-phenylbutanone, 1-phenylbutan-3-one, ACMC-209gkk, EC 219-847-4, 2-Phenylethyl methyl ketone, AC1Q1K5O, SCHEMBL1346, 4-07-00-00713 (Beilstein Handbook Reference), MLS001055395, 4-Phenyl-2-butanone, 98%, AC1L29U2, NSC813, QSPL 147, CHEMBL1490851, DTXSID6033241, Methyl (2-phenyl)-ethyl ketone, .beta.-Phenylethyl methyl ketone, CTK1A3303, NSC-813, HMS2270M10, KS-00000X5Z, NSC44829, ZINC1587606, Tox21_201240, Tox21_303341, ANW-25746, BBL011439, NSC-44829, SBB058827, STL146547, AKOS000119009, LS10597, MCULE-1136231603, RP21229, RTC-069524, TRA0069685, NCGC00090923-01, NCGC00090923-02, NCGC00257254-01, NCGC00258792-01, 4-Phenyl-2-butanone, analytical standard, AJ-27607, AN-21700, AS-54099, CJ-25334, LS-46857, SMR000112390, TC-069524, B0405, FT-0083234, FT-0619392, ST24043976, ST50824135, A25848, I01-1463, I14-7342, S01-0701, W-107235, F0001-0855, 1-Phenyl-3-butanone;2-Butanone, 4-phenyl-;4-Phenyl-2-butanoine, 4 - phenylbutan - 2 - one, C10H12O, CID17355, C10-H12-O, 4-Phenyl-2-butanone, 99% - 25ML 25ml,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.089g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.205g/mol
Monoisotopic Mass	148.089g/mol
Rotatable Bond Count	3
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	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number