AG007Y1C

14676-03-0 | 2-Furanpropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-

AG007Y1C

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CAS Number	14676-03-0
Catalog Number	AG007Y1C(AGN-PC-0PZAG4)
Chemical Name	2-Furanpropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-
IUPAC Name	3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-8(7-10(14)15)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,13,16)(H,14,15)
InChI Key	NTIWANHPRXTWCF-UHFFFAOYSA-N
MDL Number	MFCD02090673
Molecular Formula	C12H17NO5
Molecular Weight	255.2671
SMILES	O=C(O)CC(NC(OC(C)(C)C)=O)C1=CC=CO1
Synonyms	14676-03-0, 3-((tert-Butoxycarbonyl)amino)-3-(furan-2-yl)propanoic acid, 3-tert-Butoxycarbonylamino-3-furan-2-yl-propionic acid, 3-(tert-butoxycarbonylamino)-3-(furan-2-yl)propanoic acid, (3R)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, ZX-AV000948, MFCD02090673, AK392565, BBV-38207477, DS-13104, boc-dl-3-amino-3-(2-furyl)-propionic acid, (3S)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-(S)-3-amino-3-(2-furyl)-propionic acid, (R)-3-((tert-Butoxycarbonyl)amino)-3-(furan-2-yl)propanoic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-(furan-2-yl)propanoic acid, 1217725-33-1, 1217736-81-6,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.111g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.27g/mol
Monoisotopic Mass	255.111g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	88.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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