AG00GJLB

Name: methyl 4-propylbenzoate
Brand: Angene Chemical
SKU: AG00GJLB

81631-63-2 | methyl 4-propylbenzoate

AG00GJLB

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CAS Number	81631-63-2
Catalog Number	AG00GJLB(AGN-PC-00JTMU)
Chemical Name	methyl 4-propylbenzoate
IUPAC Name	methyl 4-propylbenzoate
InChI	InChI=1S/C11H14O2/c1-3-4-9-5-7-10(8-6-9)11(12)13-2/h5-8H,3-4H2,1-2H3
InChI Key	RXFJHVNBEFFCJX-UHFFFAOYSA-N
MDL Number	MFCD12025278
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(OC)C1=CC=C(CCC)C=C1
Synonyms	methyl 4-propylbenzoate, 81631-63-2, 1-Methoxycarbonyl-4-propylbenzene, SCHEMBL1807631, DTXSID70511714, RXFJHVNBEFFCJX-UHFFFAOYSA-N, 4-n-propylbenzoic acid methyl ester, ZINC39318782, Benzoic acid, 4-propyl-, methyl ester, 4-PROPYLBENZOIC ACID METHYL ESTER, AJ-99777,

Complexity	158
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	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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