AG0096TJ

Name: NSC406726
Brand: Angene Chemical
SKU: AG0096TJ

1077-79-8 | NSC406726

AG0096TJ

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CAS Number	1077-79-8
Catalog Number	AG0096TJ(AGN-PC-0JMIIK)
Chemical Name	NSC406726
IUPAC Name	methyl 2-acetylbenzoate
InChI	InChI=1S/C10H10O3/c1-7(11)8-5-3-4-6-9(8)10(12)13-2/h3-6H,1-2H3
InChI Key	UFOAYTOVTNNRKJ-UHFFFAOYSA-N
MDL Number	MFCD20485857
Molecular Formula	C10H10O3
Molecular Weight	178.1846
NSC Number	406726
SMILES	O=C(OC)C1=CC=CC=C1C(C)=O
Synonyms	methyl 2-acetylbenzoate, 1077-79-8, NSC406726, SCHEMBL1956734, KS-00001AJX, DTXSID00324435, 2-acetyl-benzoic acid methyl ester, AC1L8885, ZINC1599403, MFCD20485857, AKOS023713439, NSC-406726, AK203345, AS-39764, CS-0037022, CID347839,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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