AG001SAX

161282-57-1 | 1H-Pyrrole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester

AG001SAX

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CAS Number	161282-57-1
Catalog Number	AG001SAX(AGN-PC-0WCL4X)
Chemical Name	1H-Pyrrole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-formylpyrrole-1-carboxylate
InChI	InChI=1S/C10H13NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-7H,1-3H3
InChI Key	NSHLHMBABZKJHP-UHFFFAOYSA-N
MDL Number	MFCD03086220
Molecular Formula	C10H13NO3
Molecular Weight	195.2151
SMILES	O=C(N1C(C=O)=CC=C1)OC(C)(C)C
Synonyms	161282-57-1, TERT-BUTYL 2-FORMYL-1H-PYRROLE-1-CARBOXYLATE, N-Boc-pyrrole-2-carboxaldehyde, 2-Formyl-pyrrole-1-carboxylic acid tert-butyl ester, Tert-butyl 2-formylpyrrole-1-carboxylate, MFCD03086220, AC1NMTUY, ACMC-20ak5v, N-Boc-pyrrole-2-carbaldehyde, SCHEMBL1960653, 1-Boc-pyrrole-2-carboxaldehyde, CTK4D0783, DTXSID30407861, NSHLHMBABZKJHP-UHFFFAOYSA-N, ACT08972, ZINC2506155, AKOS005215825, N-Boc-pyrrole-2-carboxaldehyde, 97%, 1-Boc-pyrrole-2-carboxaldehyde, 98%, SB12045, AJ-36106, AM100323, AN-31222, AS-50443, SC-88261, 1-(t-butoxycarbonyl)pyrrole-2-carbaldehyde, DB-000582, ST2402047, TC-165802, tert-butyl 2-methanoylpyrrole-1-carboxylate, CS-0054074, FT-0645874, 1-(tert-Butoxycarbonyl)pyrrole-2-carboxaldehyde, N-tert-Butyloxycarbonylpyrrole-2-carboxaldehyde, 2-formyl-1-pyrrolecarboxylic acid tert-butyl ester, 282B571, A810243, N-(dimethylethoxycarbonyl)pyrrole-2-carboxaldehyde, 1-(tert-Butoxycarbonyl)-1H-pyrrole-2-carbaldehyde, J-009807, I14-11459, I14-16887, 1H-Pyrrole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, 1H-Pyrrole-1-carboxylicacid, 2-formyl-, 1,1-dimethylethyl ester, CID5057005, N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.218g/mol
Monoisotopic Mass	195.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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