AG01B6CB

Name: 1-Methyl-2-oxoazepane-3-carboxylic acid
Brand: Angene Chemical
SKU: AG01B6CB

50585-84-7 | 1-Methyl-2-oxoazepane-3-carboxylic acid

AG01B6CB

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CAS Number	50585-84-7
Catalog Number	AG01B6CB
Chemical Name	1-Methyl-2-oxoazepane-3-carboxylic acid
IUPAC Name	1-methyl-2-oxoazepane-3-carboxylic acid
InChI	InChI=1S/C8H13NO3/c1-9-5-3-2-4-6(7(9)10)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChI Key	GMRPEWVXEFQPRT-UHFFFAOYSA-N
MDL Number	MFCD20647109
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	CN1C(=O)C(C(O)=O)CCCC1
Synonyms	1-methyl-2-oxoazepane-3-carboxylic acid, 50585-84-7, AKOS033945459, Z2568751668,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.196g/mol
Monoisotopic Mass	171.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
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