AG003OMK

495-40-9 | 1-Phenylbutan-1-one

AG003OMK

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CAS Number	495-40-9
Catalog Number	AG003OMK(AGN-PC-0052JW)
Chemical Name	1-Phenylbutan-1-one
EC Number	207-799-7
IUPAC Name	1-phenylbutan-1-one
InChI	InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChI Key	FFSAXUULYPJSKH-UHFFFAOYSA-N
MDL Number	MFCD00009397
Molecular Formula	C10H12O
Molecular Weight	148.2017
NSC Number	8463
SMILES	CCCC(C1=CC=CC=C1)=O
UNII	186I11WB5B
Synonyms	BUTYROPHENONE, 1-phenylbutan-1-one, 495-40-9, n-Butyrophenone, 1-Butanone, 1-phenyl-, Phenyl propyl ketone, 1-Phenyl-1-butanone, Propyl phenyl ketone, UNII-186I11WB5B, 1-Phenyl-butan-1-one, FFSAXUULYPJSKH-UHFFFAOYSA-N, 186I11WB5B, MFCD00009397, n-Butyrophenone, 99%, Butyrophenone, >=99%, propylphenylketone, NSC 8463, EINECS 207-799-7, Phenyl n-propyl ketone, AI3-02062, AC1L1UXZ, ACMC-1AMR6, AC1Q2UF6, 495-40-9 butyrophenone, DSSTox_CID_27059, DSSTox_RID_82076, DSSTox_GSID_47059, SCHEMBL82532, CHEMBL193524, DTXSID3047059, CTK1D5906, KS-00000FUH, EBD2701, NSC8463, Butyrophenone, analytical standard, ST030, NSC-8463, ZINC1586755, Tox21_302345, ANW-30784, BBL027757, SBB058761, STL373490, 1-Phenyl-1-butanone; n-Butyrophenone, AKOS000120282, MCULE-1952839528, PS-5615, RP21230, RTR-017814, TRA0083559, NCGC00256194-01, AK164430, AN-21402, CAS-495-40-9, CJ-25303, M744, TR-017814, AM20040561, B0769, FT-0623350, ST50824127, A827738, I01-7682, J-505070, W-106021, F0001-1286, InChI=1/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H, 3-methylpropiophenone, Butyrophenone, 99% 50g, 1-PHENYL-2-BUTANONE, C10H12O, CID10315, C10-H12-O, ACN-057395, Butyrophenone, 99% - 100G 100g,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319
Packing Group
Precautionary statements	P210-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number