AG00FFFA

6921-45-5 | Ethanone, 1-(4-cyclopropylphenyl)- (9CI)

AG00FFFA

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CAS Number	6921-45-5
Catalog Number	AG00FFFA(AGN-PC-0JNY4Q)
Chemical Name	Ethanone, 1-(4-cyclopropylphenyl)- (9CI)
IUPAC Name	1-(4-cyclopropylphenyl)ethanone
InChI	InChI=1S/C11H12O/c1-8(12)9-2-4-10(5-3-9)11-6-7-11/h2-5,11H,6-7H2,1H3
InChI Key	SWHHCKFQUJBPPQ-UHFFFAOYSA-N
MDL Number	MFCD00102381
Molecular Formula	C11H12O
Molecular Weight	160.2124
NSC Number	98349
SMILES	CC(C1=CC=C(C2CC2)C=C1)=O
Synonyms	1-(4-cyclopropylphenyl)ethanone, 6921-45-5, Ethanone,1-(4-cyclopropylphenyl)-, 1-acetyl-4-cyclopropylbenzene, NSC98349, p-cyclopropylacetophenone, AC1Q5DWW, Ethanone, 1-(4-cyclopropylphenyl)- (9CI), 4'-Cyclopropylacetophenone, Cambridge id 5135725, NCIOpen2_001764, AC1L6A90, SCHEMBL3222423, CTK5C9254, DTXSID90294835, SWHHCKFQUJBPPQ-UHFFFAOYSA-N, KS-00000I6L, ZINC1231949, 1-(4-cyclopropylphenyl)ethan-1-one, Ethanone, 1-(4-cyclopropylphenyl)-, MFCD00102381, NSC-98349, AKOS004118882, DS-6182, MCULE-5979615189, RL04647, AJ-25124, AK129380, DB-074147, BB 0223489, CS-0040765, FT-0743113, A836398, A1-09759, J-503291, Ethanone,1- -, KST-1B7627, AR-1B1971, CID263692, 6945-71-7,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.216g/mol
Monoisotopic Mass	160.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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