AG003IFE

4043-88-3 | 3,4-Dehydro-L-proline

AG003IFE

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CAS Number	4043-88-3
Catalog Number	AG003IFE(AGN-PC-0OA2XV)
Chemical Name	3,4-Dehydro-L-proline
EC Number	223-738-7
IUPAC Name	(2S)-2,5-dihydro-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/t4-/m0/s1
InChI Key	OMGHIGVFLOPEHJ-BYPYZUCNSA-N
MDL Number	MFCD00065964
Molecular Formula	C5H7NO2
Molecular Weight	113.1146
SMILES	[H][C@@]1(NCC=C1)C(O)=O
Synonyms	3,4-Dehydro-L-proline, 4043-88-3, (S)-2,5-Dihydro-1H-pyrrole-2-carboxylic acid, L-3,4-Dehydroproline, (2S)-2,5-dihydro-1H-pyrrole-2-carboxylic acid, 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-, (S)-, L-3-Pyrroline-2-carboxylic acid, (S)-3-Pyrroline-2-carboxylic acid, EINECS 223-738-7, H-3,4-Dehydro-Pro-OH, BRN 5376764, CHEMBL78920, OMGHIGVFLOPEHJ-BYPYZUCNSA-N, 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-, (2S)-, AK-45899, H-Delta-Pro-OH, 3,4-didehydro-l-pro, PubChem13924, 3,4-Dehydro-L-prolin, AC1L3RWH, AC1Q5QUX, SCHEMBL1021492, CTK1D6949, KS-00003SQL, DTXSID80193444, ACT02240, ZINC2044729, 3-Pyrroline-2-carboxylic acid, L-, ANW-43639, BDBM50348088, FC0553, FCH950165, MFCD00065964, AKOS016842399, AC-2606, CD-1802, QC-2592, VZ25455, AJ-33368, AN-13832, BC676801, BR-45899, SC-21522, TS-01567, 3-Pyrroline-2-carboxylic acid, L- (8CI), AB0006414, LS-136826, ST2408257, TR-016151, D3825, FT-0630232, Z1675, (s)-2,5-dihydro-1h-pyrrole-2-carboxylicacid, 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-,, C-24809, 1H-Pyrrole-2-carboxylic acid,2,5-dihydro-,(2S)-, I11-0322, I11-0324, 1H-Pyrrole-2-carboxylicacid, 2,5-dihydro-, (2S)-, Dehydroproline, 3,4-Dehydroproline, 3,4-dehydro-D-proline, C5H7NO2, C5-H7-N-O2, CID94284, AR-1E9021, RW3705, 2,5-Dihydro-1H-pyrrole-2-carboxylic acid, S-5501, 3395-35-5, 58640-72-5, 60363-25-9,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	113.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	113.116g/mol
Monoisotopic Mass	113.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number