AG003RKD

942-24-5 | Methyl indole-3-carboxylate

AG003RKD

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CAS Number	942-24-5
Catalog Number	AG003RKD(AGN-PC-0JTDTI)
Chemical Name	Methyl indole-3-carboxylate
IUPAC Name	methyl 1H-indole-3-carboxylate
InChI	InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChI Key	QXAUTQFAWKKNLM-UHFFFAOYSA-N
MDL Number	MFCD00189407
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	C(=O)(OC)c1c2c([nH]c1)cccc2
Synonyms	Methyl indole-3-carboxylate, 942-24-5, Methyl 1H-indole-3-carboxylate, Indole-3-carboxylic Acid Methyl Ester, Methyl 3-indolecarboxylate, 3-carbomethoxyindole, 3-methoxycarbonylindole, 1H-Indole-3-carboxylic acid, methyl ester, 1H-Indole-3-carboxylic acid methyl ester, Indole-3-carboxylic acid, methyl ester, CHEBI:65019, QXAUTQFAWKKNLM-UHFFFAOYSA-N, MFCD00189407, 3-carbomethoxy indole, PubChem7506, BAS 00154547, ACMC-209rqq, methylindole-3-carboxylate, AC1LBU91, methyl indole 3-carboxylate, 3-methoxycarbonyl-1H-indole, KSC490C1F, SCHEMBL1093530, CHEMBL2270066, CTK3J0112, KS-00000BOI, ZINC66126, DTXSID10343334, HMS1661G01, Methyl 1H-indole-3-carboxylate #, Methyl indole-3-carboxylate, 99%, BCP00917, CS-D1229, ANW-40224, BBL010669, HTS001783, METHYL INDOLE-3- CARBOXYLATE, SBB012373, STK397421, AKOS000579454, MCULE-1094551134, RP02909, RTC-066351, SDCCGMLS-0065824.P001, TRA0058556, 4CN-0722, AJ-10188, AK-47146, AN-48119, BC219773, CJ-00554, SC-46735, SC-63798, ST066881, SY020043, ZB002537, AB0021789, TC-066351, FT-0628332, I0491, ST24025483, W1078, MFCD00189407 (98%), I-2505, M-5770, 7T-1502, I01-2961, Z57164966, F2190-0648, InChI=1/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H, C10H9NO2, CID589098, A15922, C2Y,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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