AG0076RY

39891-70-8 | Indoline-3-carboxylic acid

AG0076RY

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CAS Number	39891-70-8
Catalog Number	AG0076RY(AGN-PC-02INBS)
Chemical Name	Indoline-3-carboxylic acid
IUPAC Name	2,3-dihydro-1H-indole-3-carboxylic acid
InChI	InChI=1S/C9H9NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-4,7,10H,5H2,(H,11,12)
InChI Key	RXHBTEVUVWXEBO-UHFFFAOYSA-N
MDL Number	MFCD03840629
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
SMILES	O=C(C1CNC2=C1C=CC=C2)O
Synonyms	indoline-3-carboxylic acid, Indoline-3-carboxylic acid, 39891-70-8, 2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID, PubChem7283, SCHEMBL3749720, CTK1C2194, KS-00003HMG, DTXSID20599284, RXHBTEVUVWXEBO-UHFFFAOYSA-N, ACT09672, ALBB-022748, ANW-46468, CI-083, MFCD03840629, RW1151, 1H-INDOLINE-3-CARBOXYLIC ACID, AKOS006280722, AB16477, BS-3880, LS20140, MCULE-9569963908, RTC-061518, VI30487, AC-23375, BC203738, I481, SC-04209, 1H-Indole-3-carboxylicacid, 2,3-dihydro-, AB0013714, DB-007580, ST2407047, TC-061518, TL8002879, FT-0080511, FT-0601292, EN300-69590, 91I708, W-2667, A824788, Q-102581, Z1259273127, 1H-indole-3-carboxylic acid, 2,3-dihydro-, hydrochloride, C9H9NO2,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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