AG001MDL

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CAS Number	15014-25-2
Catalog Number	AG001MDL(AGN-PC-0JLVA3)
Chemical Name	Propanedioic acid, 1,3-bis(phenylmethyl) ester
EC Number	239-099-2
IUPAC Name	dibenzyl propanedioate
InChI	InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChI Key	RYFCSKVXWRJEOB-UHFFFAOYSA-N
MDL Number	MFCD00004779
Molecular Formula	C17H16O4
Molecular Weight	284.3065
NSC Number	101027
SMILES	O=C(CC(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1
Synonyms	Dibenzyl malonate, 15014-25-2, Propanedioic acid, bis(phenylmethyl) ester, 1,3-dibenzyl propanedioate, Malonic Acid Dibenzyl Ester, MLS002703585, RYFCSKVXWRJEOB-UHFFFAOYSA-N, MFCD00004779, Propanedioic acid, 1,3-bis(phenylmethyl) ester, EINECS 239-099-2, dibenzyl propanedioate, Malonic acid dibenzyl, ACMC-209d3u, NCIOpen2_006886, SCHEMBL294341, AC1L384J, AC1Q661V, CHEMBL2357598, CTK3J7176, DTXSID40164478, diphenylmethyl propane-1,3-dioate, CS-M2938, ZINC2504430, ANW-21256, NSC101027, AKOS005207078, AM80976, NSC 101027, NSC-101027, RP29908, NCGC00246710-01, AJ-35989, AK-47886, AS-17869, SC-22879, SMR001570302, DB-063846, RT-003589, FT-0624641, FT-0624654, M1080, ST24030310, ST50406730, V2260, Propanedioic acid,1,3-bis(phenylmethyl) ester, J-008663, I14-58314, Z1949076075, (S)-3-Amino-2-oxetanone p-toluenesulfonic acid salt(BOC protection form), InChI=1/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H, C17H16O4, CID84754, AR-1I3936, C17-H16-O4, 15233-41-7,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.105g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.311g/mol
Monoisotopic Mass	284.105g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Product Recommendations

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