AG000V3X

130931-83-8 | 2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-

AG000V3X

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CAS Number	130931-83-8
Catalog Number	AG000V3X(AGN-PC-0O0Z91)
Chemical Name	2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-
EC Number	627-840-6
IUPAC Name	(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one
InChI	InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1
InChI Key	DDUFYKNOXPZZIW-CRCLSJGQSA-N
MDL Number	MFCD00211275
Molecular Formula	C6H7NO
Molecular Weight	109.1259
SMILES	[C@@H]12NC([C@@H](C=C1)C2)=O
Synonyms	130931-83-8, (1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one, (1R,4S)-3-Azabicyclo[2.2.1]hept-5-en-2-one, (1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-, (+)-2-Azabicyclo[2.2.1]hept-5-en-3-one, 4-Amino-2-cyclopentene-1-carboxylic acid lactam, SCHEMBL1192745, DDUFYKNOXPZZIW-CRCLSJGQSA-N, HT809, ZINC158452, BCP07500, CA-858, CA0167, FCH950176, AKOS015924575, ACN-029031, CS-W001398, RP08806, SB18483, WT81681, (1S,4R)-2-Azanorborna-5-ene-3-one, AJ-15182, AK-29823, AS-39359, CJ-01748, OR315003, SC-14133, ZB006882, AX8003641, DB-003126, ST2402126, C3428, X5641, S-0199, 2-Azabicyclo[2.2.1]hept-5-en-3-one, 98%, 931A838, (1S,4R)-2-Aza-bicyclo[2,2,1]hept-5-en-3-one, (1S,4R)-3-Oxo-2-azabicyclo[2.2.1]hept-5-ene, I14-8314, J-650393, W-205333, (+)-2-AZABICYCLO[2,2,1]HEPT-5-EN-3-ONE, (1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one, >=98%, 130931-83-8 (1S, 4R)-2-Aza-bicyclo[2,2,1]hept-5-en-3-one, 66Y, vince lactam, C6H7NO, ZINC00158453, CID11789150, 2-Azabicyclo[2.2.1]hept-5-en-3-one, -2-Aza-bicyclo[2.2.1]hept-5-en-3-one, ((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one, ( inverted exclamation markA)-2-Azabicyclo[2.2.1]hept-5-en-3-one, 49805-30-3,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	109.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	109.128g/mol
Monoisotopic Mass	109.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number