AG00DB9J

49607-09-2 | (R)-2-Acetamido-2-cyclobutylacetic acid

AG00DB9J

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CAS Number	49607-09-2
Catalog Number	AG00DB9J(AGN-PC-0WD6ZM)
Chemical Name	(R)-2-Acetamido-2-cyclobutylacetic acid
IUPAC Name	(2R)-2-acetamido-2-cyclobutylacetic acid
InChI	InChI=1S/C8H13NO3/c1-5(10)9-7(8(11)12)6-3-2-4-6/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChI Key	GHJOZNKMMRLGJT-SSDOTTSWSA-N
MDL Number	MFCD28038701
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	C(C)(=O)N[C@@H](C(=O)O)C1CCC1
Synonyms	(R)-2-Acetamido-2-cyclobutylacetic acid, 49607-09-2, r-acetylamino-cyclobutylacetic acid, CS-D0381, MFCD28038701, ZINC83823109, FCH3482685, AK167505, AS-30932,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	2
Isotope Atom Count	0
Molecular Weight	171.196g/mol
Monoisotopic Mass	171.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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