AG01CBL5

Name: Mono-(7-carboxy-4-methylheptyl) Phthalate
Brand: Angene Chemical
SKU: AG01CBL5

936022-02-5 | Mono-(7-carboxy-4-methylheptyl) Phthalate

AG01CBL5

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CAS Number	936022-02-5
Catalog Number	AG01CBL5(AGN-PC-0WH53A)
Chemical Name	Mono-(7-carboxy-4-methylheptyl) Phthalate
IUPAC Name	2-(7-carboxy-4-methylheptoxy)carbonylbenzoic acid
InChI	InChI=1S/C17H22O6/c1-12(6-4-10-15(18)19)7-5-11-23-17(22)14-9-3-2-8-13(14)16(20)21/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,18,19)(H,20,21)
InChI Key	IGGGGTKTEAEHSG-UHFFFAOYSA-N
Molecular Formula	C17H22O6
Molecular Weight	322.3530
SMILES	O=C(C1=CC=CC=C1C(O)=O)OCCCC(C)CCCC(O)=O
Synonyms	936022-02-5, DTXSID501009359, Phthalic acid 1-(7-carboxy-4-methylheptyl) ester, 2-{[(7-carboxy-4-methylheptyl)oxy]carbonyl}benzoic acid, Mono-(7-carboxy-4-methylheptyl) Phthalate, 2-(7-Carboxy-4-methylheptoxy)carbonylbenzoic acid,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.141638g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	322.4g/mol
Monoisotopic Mass	322.141638g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	101Å²
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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