AG00FC93

675606-20-9 | 1-(tert-Butoxycarbonyl)-1H-indole-3-carboxylic acid

AG00FC93

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CAS Number	675606-20-9
Catalog Number	AG00FC93(AGN-PC-09TBPM)
Chemical Name	1-(tert-Butoxycarbonyl)-1H-indole-3-carboxylic acid
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid
InChI	InChI=1S/C14H15NO4/c1-14(2,3)19-13(18)15-8-10(12(16)17)9-6-4-5-7-11(9)15/h4-8H,1-3H3,(H,16,17)
InChI Key	YPTCGAOGZZKVFO-UHFFFAOYSA-N
MDL Number	MFCD09909346
Molecular Formula	C14H15NO4
Molecular Weight	261.2732
SMILES	O=C(C1=CN(C(OC(C)(C)C)=O)C2=C1C=CC=C2)O
Synonyms	675606-20-9, 1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID, 1h-indole-1,3-dicarboxylic acid,1-(1,1-dimethylethyl)ester, SCHEMBL3159607, N-boc-indole-3-carboxylic acid, DTXSID80702616, MFCD09909346, ZINC82125377, AKOS024262522, AK158519, SC-61202, AJ-125060, AX8292283, ST24037681, 1-[(tert-butoxy)carbonyl]-1H-indole-3-carboxylic acid, Z2787257098, 1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid, 1H-INDOLE-1,3-DICARBOXYLIC ACID,1-(1,1-DIMETHYLETH,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.1g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.277g/mol
Monoisotopic Mass	261.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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