AG003J5W

Name: 3-(Carboxymethyl)adamantane-1-carboxylic acid
Brand: Angene Chemical
SKU: AG003J5W

56531-58-9 | 3-(Carboxymethyl)adamantane-1-carboxylic acid

AG003J5W

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CAS Number	56531-58-9
Catalog Number	AG003J5W(AGN-PC-0JWIN2)
Chemical Name	3-(Carboxymethyl)adamantane-1-carboxylic acid
IUPAC Name	3-(carboxymethyl)adamantane-1-carboxylic acid
InChI	InChI=1S/C13H18O4/c14-10(15)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(16)17/h8-9H,1-7H2,(H,14,15)(H,16,17)
InChI Key	YQXJBYAQGPMUEP-UHFFFAOYSA-N
MDL Number	MFCD00218940
Molecular Formula	C13H18O4
Molecular Weight	238.2796
SMILES	OC(CC12CC3(C(O)=O)CC(CC(C3)C1)C2)=O
Synonyms	3-(carboxymethyl)adamantane-1-carboxylic acid, 56531-58-9, 3-Carboxyadamantane-1-acetic acid, Enamine_005944, 3-carboxymethyl adamantane-1-carboxylic acid, AC1NCSJZ, ACMC-1ATXL, Oprea1_321214, AC1Q752T, CTK5A5296, DTXSID70404298, HMS1410O04, ALBB-013846, MFCD00218940, AKOS001010886, AKOS016845587, CC-1935, MCULE-4425753830, TRA0064439, IDI1_008179, NCGC00328201-01, AB0103030, TC-169765, R2630, EN300-54116, AB01323541-02, 3-CARBOXYMETHYLADAMANTANE-1-CARBOXYLIC ACID, AG-670/25001050, I04-1183, Z56757115, tricyclo[3.3.1.1~3,7~]decane-1-acetic acid, 3-carboxy-, CID4564024,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	238.283g/mol
Monoisotopic Mass	238.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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