AG003R0C

50501-07-0 | ETHYL INDOLINE-2-CARBOXYLATE

AG003R0C

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CAS Number	50501-07-0
Catalog Number	AG003R0C(AGN-PC-00IL38)
Chemical Name	ETHYL INDOLINE-2-CARBOXYLATE
IUPAC Name	ethyl 2,3-dihydro-1H-indole-2-carboxylate
InChI	InChI=1S/C11H13NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3
InChI Key	KISPUTPAKVZNBI-UHFFFAOYSA-N
MDL Number	MFCD06797114
Molecular Formula	C11H13NO2
Molecular Weight	191.2264
SMILES	O=C(C1NC2=C(C=CC=C2)C1)OCC
Synonyms	Ethyl Indoline-2-carboxylate, 50501-07-0, Indoline-2-carboxylic Acid Ethyl Ester, 1H-Indole-2-carboxylic acid, 2,3-dihydro-, ethyl ester, Ethyl (S)-indoline-2-carboxylate, 2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester, 2-ethoxycarbonylindoline, ACMC-1BKTS, Ethyl 2,3-dihydro-1H-indole-2-carboxylate, 2(RS) carbethoxy indoline, 2-(RS)-carbethoxyindoline, Ethyl indoline-2 -carboxlate, SCHEMBL3255783, CTK4J2694, KISPUTPAKVZNBI-UHFFFAOYSA-N, ANW-31020, MFCD06797114, AKOS009265417, MCULE-4832896123, Ethyl 2-indolinecarboxylate, AldrichCPR, AS-30282, SC-41950, TC-119765, FT-0718450, I0595, ETHYL 2,3-DIHYDROINDOLE-2-CARBOXYLATE, 2,3-dihydroindole-2-carboxylic acid ethyl ester, Indoline-2-carboxylicAcidEthylEster, CID11949691, 82923-81-7, 79854-42-5,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.23g/mol
Monoisotopic Mass	191.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^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	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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