AG00140P

1378888-43-7 | Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-

AG00140P

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CAS Number	1378888-43-7
Catalog Number	AG00140P(AGN-PC-0WCY3C)
Chemical Name	Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-
IUPAC Name	1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
InChI	InChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3
InChI Key	UAOSVSMWAUFYMM-UHFFFAOYSA-N
MDL Number	MFCD18910891
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	CC(C1=CC=C(CO)C(CC)=C1)=O
Synonyms	1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone, 1378888-43-7, 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one, Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-, 1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethan-1-one, SCHEMBL1859697, UAOSVSMWAUFYMM-UHFFFAOYSA-N, MFCD18910891, ZINC66325910, AKOS015891172, ACN-049041, FCH1012168, SB18110, AK200058, AS-33345, SC-89374, AX8329269, CS-0064885, 1-(3-ethyl-4-hydroxymethyl-phenyl)-ethanone, I01-9058, 1-(3-ethyl-4-hydroxymethylphenyl)ethanone,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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