AG006A80

72120-54-8 | 1-((Benzyloxy)Carbonyl)Hexahydropyridazine-3-Carboxylic Acid

AG006A80

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CAS Number	72120-54-8
Catalog Number	AG006A80(AGN-PC-0NDNFU)
Chemical Name	1-((Benzyloxy)Carbonyl)Hexahydropyridazine-3-Carboxylic Acid
IUPAC Name	1-phenylmethoxycarbonyldiazinane-3-carboxylic acid
InChI	InChI=1S/C13H16N2O4/c16-12(17)11-7-4-8-15(14-11)13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,16,17)
InChI Key	ZYBMAAOZXXKYTG-UHFFFAOYSA-N
MDL Number	MFCD16619198
Molecular Formula	C13H16N2O4
Molecular Weight	264.2771
SMILES	O(CC1C=CC=CC=1)C(N1CCCC(C(O)=O)N1)=O
Synonyms	72120-54-8, 1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid, 1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid, Tetrahydro-1,3(2H)-pyridazinedicarboxylic acid 1-(phenylmethyl) ester, 1-CBZ-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID, 1-[(Benzyloxy)carbonyl]hexahydropyridazine-3-carboxylic acid, AK-28563, (S)-1-(benzyloxycarbonyl)piperazine-3-carboxylic acid, (R)-1-(benzyloxycarbonyl)piperazine-3-carboxylic acid, SCHEMBL5836002, CTK8B5072, DTXSID10450178, ANW-47344, MFCD16619198, AKOS015919660, FCH2771064, 72150-21-1, AK-75982, AN-12102, BR-75982, AX8220627, DB-030420, TC-136089, 4CH-011065, CS-0060541, FT-0711279, ST24020967, W8087, S-6836, 120B548, 1-benzyloxycarbonylhexahydropyridazine-3-carboxylic acid, 1-[(benzyloxy)carbonyl]-1,2-diazinane-3-carboxylic acid, Tetrahydropyridazine-1,3-dicarboxylic acid 1-benzyl ester, (S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylicacid, C13H16N2O4, ACN-030358, CID10967377, 65632-62-4, (S)-1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid, A8893, 1-phenylmethoxycarbonyldiazinane-3-carboxylic Acid, (S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid, 1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylicacid, 1-(Benzyloxycarbonyl) hexahydropyridazine-3-carboxylic acid, Tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.111g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.281g/mol
Monoisotopic Mass	264.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

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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