AG00INO0

Name: 4-(1-methyl-2-oxopropoxy)benzenecarbonitrile
Brand: Angene Chemical
SKU: AG00INO0

306979-60-2 | 4-(1-methyl-2-oxopropoxy)benzenecarbonitrile

AG00INO0

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CAS Number	306979-60-2
Catalog Number	AG00INO0(AGN-PC-0WAQWJ)
Chemical Name	4-(1-methyl-2-oxopropoxy)benzenecarbonitrile
IUPAC Name	4-(3-oxobutan-2-yloxy)benzonitrile
InChI	InChI=1S/C11H11NO2/c1-8(13)9(2)14-11-5-3-10(7-12)4-6-11/h3-6,9H,1-2H3
InChI Key	UHZAHWXTMDSTLF-UHFFFAOYSA-N
MDL Number	MFCD00243580
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O=C(C(OC1(=CC=C(C#N)C=C1))C)C
Synonyms	4-(1-methyl-2-oxopropoxy)benzenecarbonitrile, 306979-60-2, 4-[(3-oxobutan-2-yl)oxy]benzonitrile, 4-(3-oxobutan-2-yloxy)benzonitrile, 4-((3-Oxobutan-2-yl)oxy)benzonitrile, 4-(1-Methyl-2-oxopropoxy)benzencarbonitrile, AC1MCGGO, CTK6A2896, KS-00001SRC, methyloxopropoxybenzenecarbonitrile, MFCD00243580, SBB090955, AKOS005069529, MCULE-9670165030, RP11206, TR-062779, Y-9519, 12K-026, ZINC00167614, CID2769054,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited