AG00C8ZD

35677-87-3 | 1-acetyl-2-piperidinecarboxylic acid

AG00C8ZD

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CAS Number	35677-87-3
Catalog Number	AG00C8ZD(AGN-PC-03W6VY)
Chemical Name	1-acetyl-2-piperidinecarboxylic acid
IUPAC Name	1-acetylpiperidine-2-carboxylic acid
InChI	InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChI Key	JACZWLDAHFCGCC-UHFFFAOYSA-N
MDL Number	MFCD09044120
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	N1(CCCCC1C(O)=O)C(C)=O
Synonyms	1-acetylpiperidine-2-carboxylic acid, 35677-87-3, 1-ACETYL-2-PIPERIDINECARBOXYLIC ACID, 1-Acetyl-piperidine-2-carboxylic acid, acetylpipecolic acid, ACMC-20megx, 2-Piperidinecarboxylicacid, 1-acetyl-, (2S)-, AC1NBRUO, AC1Q1KDR, N-acetyl-L/D-pipecolic acid, SCHEMBL1840265, CTK4H5139, 111555-81-8, ALBB-027355, MFCD09044120, SBB085475, AKOS000128241, AKOS017272344, MCULE-9909402121, NE23473, 2-Piperidinecarboxylic acid, 1-acetyl-, KS-00001A71, AM803771, AN-30702, TR-066009, CS-0037902, EN300-51436, Y-4870, Z85895893, 1-ACETYL-2-CARBOXYPIPERIDINE, CID4472712, 1-ACETYL-2-PIPERIDINECARBOXYLICACID, APP,

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	-0.3

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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