AG00D825

528862-00-2 | 1-tert-Butyl 3-methyl indoline-1,3-dicarboxylate

AG00D825

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CAS Number	528862-00-2
Catalog Number	AG00D825(AGN-PC-0SDWI0)
Chemical Name	1-tert-Butyl 3-methyl indoline-1,3-dicarboxylate
IUPAC Name	1-O-tert-butyl 3-O-methyl 2,3-dihydroindole-1,3-dicarboxylate
InChI	InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-11(13(17)19-4)10-7-5-6-8-12(10)16/h5-8,11H,9H2,1-4H3
InChI Key	PJQIZHLWDPQRLK-UHFFFAOYSA-N
MDL Number	MFCD06658477
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	O=C(N1C2=C(C(C1)C(OC)=O)C=CC=C2)OC(C)(C)C
Synonyms	528862-00-2, 1-tert-Butyl 3-methyl indoline-1,3-dicarboxylate, METHYL 1-BOC-INDOLINE-3-CARBOXYLATE, 2,3-Dihydro-indole-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester, 1-tert-butyl 3-methyl 2,3-dihydro-1H-indole-1,3-dicarboxylate, SCHEMBL3695799, PJQIZHLWDPQRLK-UHFFFAOYSA-N, AB1512, MFCD06658477, AKOS022179229, NE48507, AS-44595, D57236, ACN-030154, 2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.131g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	277.32g/mol
Monoisotopic Mass	277.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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