AG0076MD

Name: Hexanedioic acid,1-(phenylmethyl) ester
Brand: Angene Chemical
SKU: AG0076MD

40542-90-3 | Hexanedioic acid,1-(phenylmethyl) ester

AG0076MD

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CAS Number	40542-90-3
Catalog Number	AG0076MD(AGN-PC-025GQE)
Chemical Name	Hexanedioic acid,1-(phenylmethyl) ester
IUPAC Name	6-oxo-6-phenylmethoxyhexanoic acid
InChI	InChI=1S/C13H16O4/c14-12(15)8-4-5-9-13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,15)
InChI Key	CQSWISNVQPOAEM-UHFFFAOYSA-N
MDL Number	MFCD00441728
Molecular Formula	C13H16O4
Molecular Weight	236.2637
SMILES	O=C(OCC1=CC=CC=C1)CCCCC(O)=O
Synonyms	ADIPIC ACID MONOBENZYL ESTER, 40542-90-3, 6-(benzyloxy)-6-oxohexanoic acid, Hexanedioic acid,1-(phenylmethyl) ester, 6(benzyloxy)-6-oxohexanoic acid, 6-oxo-6-phenylmethoxyhexanoic acid, A-2800, Adipic acid 1-benzyl ester, SCHEMBL18674, CTK4I3312, BIA4002, DTXSID40454346, Hexanedioic Acid Monobenzyl Ester, CQSWISNVQPOAEM-UHFFFAOYSA-N, ZX-AFC000294, ZINC2565472, 6124AH, MFCD00441728, AKOS027340216, FCH2714265, AS-10391, FT-0708296, K-8651, ADIPICACIDMONOBENZYLESTER, 5-(Benzyloxycarbonyl)pentanoic acid, C13H16O4, 6-oxo-6-phenylmethoxy-hexanoic Acid, CID11075409,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.105g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.267g/mol
Monoisotopic Mass	236.105g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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