AG01B3G9

Name: Methyl 4-isocyanato-3-methylbenzoate
Brand: Angene Chemical
SKU: AG01B3G9

864296-43-5 | Methyl 4-isocyanato-3-methylbenzoate

AG01B3G9

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COA

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CAS Number	864296-43-5
Catalog Number	AG01B3G9(AGN-PC-0OKD38)
Chemical Name	Methyl 4-isocyanato-3-methylbenzoate
IUPAC Name	methyl 4-isocyanato-3-methylbenzoate
InChI	InChI=1S/C10H9NO3/c1-7-5-8(10(13)14-2)3-4-9(7)11-6-12/h3-5H,1-2H3
InChI Key	ZYQLIHZHKCNJCV-UHFFFAOYSA-N
MDL Number	MFCD22557580
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	COC(C1=CC(C)=C(N=C=O)C=C1)=O
Synonyms	methyl 4-isocyanato-3-methylbenzoate, 864296-43-5, SCHEMBL1093410, ZYQLIHZHKCNJCV-UHFFFAOYSA-N, methyl 4-isocyanato-3-methyl-benzoate, 3-Methyl-4-isocyanatobenzoic acid methyl ester, 3-Methyl-4-isocyanato-benzoic acid methyl ester, Benzoic acid, 4-isocyanato-3-methyl-, methyl ester,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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