AG00EAYN

Name: A-BENZYLHYDROCINNAMIC ACID
Brand: Angene Chemical
SKU: AG00EAYN

618-68-8 | A-BENZYLHYDROCINNAMIC ACID

AG00EAYN

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CAS Number	618-68-8
Catalog Number	AG00EAYN(AGN-PC-0T1YWJ)
Chemical Name	A-BENZYLHYDROCINNAMIC ACID
IUPAC Name	2-benzyl-3-phenylpropanoic acid
InChI	InChI=1S/C16H16O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
InChI Key	RBLAOGBEJPHFHW-UHFFFAOYSA-N
MDL Number	MFCD00796480
Molecular Formula	C16H16O2
Molecular Weight	240.2970
SMILES	C(C1=CC=CC=C1)C(C(=O)O)CC1=CC=CC=C1
Synonyms	2-Benzyl-3-phenylpropanoic acid, 618-68-8, Dibenzylacetic acid, A-BENZYLHYDROCINNAMIC ACID, NSC6239, Benzenepropanoic acid, .alpha.-(phenylmethyl)-, NSC-6239, Hydrocinnamic acid, .alpha.-benzyl-, Hydrocinnamic acid, alpha-benzyl-, NSC 6239, di-benzylacetic acid, dibenzyl acetic acid, NSC 109102, Benzenepropanoic acid, alpha-(phenylmethyl)-, AC1L21YB, AC1Q71ON, NCIStruc1_000274, NCIStruc2_000030, AMBZ0019, SCHEMBL4664822, 2-benzyl-3-phenylpropionic acid, 3-phenyl-2-benzylpropanoic acid, CHEMBL1742271, DTXSID6060684, CTK7I4478, NCI6239, RBLAOGBEJPHFHW-UHFFFAOYSA-N, 2-(benzyl)-3-phenylPropanoic acid, ZINC1693352, 9288AB, ANW-64790, CCG-38113, NCGC00013069, NSC109102, STK350048, AKOS000312320, AM85405, MCULE-7012985852, NSC-109102, alpha-(phenylmethyl)benzenepropanoic acid, NCGC00013069-02, NCGC00096193-01, AJ-30187, NCI60_007142, TC-153535, ST45075156, I01-9055, 2-Benzyl-3-phenylpropanoicacid, A-BENZYLHYDROCINNAMICACID, C16H16O2, CID64800, C16-H16-O2,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.115g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.302g/mol
Monoisotopic Mass	240.115g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	37.3A^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