AG00IB2I

Name: Benzenepropanoic acid, b-methyl-, ethyl ester
Brand: Angene Chemical
SKU: AG00IB2I

62690-29-3 | Benzenepropanoic acid, b-methyl-, ethyl ester

AG00IB2I

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CAS Number	62690-29-3
Catalog Number	AG00IB2I(AGN-PC-0T5HOV)
Chemical Name	Benzenepropanoic acid, b-methyl-, ethyl ester
IUPAC Name	ethyl 3-phenylbutanoate
InChI	InChI=1S/C12H16O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChI Key	SJPWEMZQXWYDSY-UHFFFAOYSA-N
MDL Number	MFCD06204644
Molecular Formula	C12H16O2
Molecular Weight	192.2542
SMILES	C1(=CC=CC=C1)C(CC(=O)OCC)C
Synonyms	ethyl 3-phenylbutyrate, Ethyl 3-phenylbutanoate, ethyl 3-phenylbutyrate, 62690-29-3, SJPWEMZQXWYDSY-UHFFFAOYSA-N, ethyl 3-phenyl butanoate, Ethyl 3-phenylbutanoate #, AC1LC73M, (-)-Ethyl 3-phenylbutanoate, SCHEMBL563306, BETA-METHYL-BENZENEPROPANOIC ACID ETHYL ESTER, CTK6F8338, 3-phenyl-butyric acid ethyl ester, AKOS006241754, SC-92921, Benzenepropanoic acid, .beta.-methyl-, ethyl ester, CID570672,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
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