AG00C34N

Name: Pinic Acid (Diastereomeric Mixture)
Brand: Angene Chemical
SKU: AG00C34N

28664-02-0 | Pinic Acid (Diastereomeric Mixture)

AG00C34N

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CAS Number	28664-02-0
Catalog Number	AG00C34N(AGN-PC-0JK9F1)
Chemical Name	Pinic Acid (Diastereomeric Mixture)
IUPAC Name	3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChI Key	LEVONNIFUFSRKZ-UHFFFAOYSA-N
MDL Number	MFCD00136421
Molecular Formula	C9H14O4
Molecular Weight	186.2051
NSC Number	2802
SMILES	O=C(O)C1CC(CC(O)=O)C1(C)C
Synonyms	Pinic acid, 3-carboxy-2,2-dimethylcyclobutanacetic acid, 473-73-4, CYCLOBUTANEACETIC ACID, 3-CARBOXY-2,2-DIMETHYL-, MLS002637644, NSC2802, 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid, AC1Q2CDW, AC1Q5VHL, AC1L1UK2, 28664-02-0, SCHEMBL6152852, CHEMBL1864627, CTK1D7388, HMS3091H21, NSC-2802, Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, (1R,3S)-rel-(+)-, AKOS006274145, MCULE-4320686287, LS-55826, SMR001547170, TX-016703, Valinol, C9H14O4, Cyclobutaneacetic acid,2-dimethyl-, CID10131, AR-1F2426, C9-H14-O4, 2950-87-0,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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