AG00380I

1074-86-8 | Indole-4-carboxaldehyde

AG00380I

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CAS Number	1074-86-8
Catalog Number	AG00380I(AGN-PC-0JM9CO)
Chemical Name	Indole-4-carboxaldehyde
IUPAC Name	1H-indole-4-carbaldehyde
InChI	InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChI Key	JFDDFGLNZWNJTK-UHFFFAOYSA-N
MDL Number	MFCD01632221
Molecular Formula	C9H7NO
Molecular Weight	145.1580
NSC Number	337264
SMILES	O=Cc1cccc2c1cc[nH]2
Synonyms	1H-Indole-4-carbaldehyde, Indole-4-carboxaldehyde, 1074-86-8, 4-Formylindole, 1H-Indole-4-carboxaldehyde, indole-4-carbaldehyde, 4-Indole-carboxaldehyde, 4-Indolecarbaldehyde, 4-Formyl-1H-indole, 1H-indol-4-carbaldehyde, INDOLE-4-ALDEHYDE, MFCD01632221, JFDDFGLNZWNJTK-UHFFFAOYSA-N, Indole-4-carboxaldehyde (4-Formylindole), 4-formyl-indole, 4-formylindol, 4-indolealdehyde, NSC337264, 4-indolcarboxaldehyde, indol-4-carboaldehyde, indole 4carboxaldehyde, PubChem7170, indol 4-carboxaldehyde, indole 4-carboxaldehyde, AC1L7DUE, 1H-indole-4-carbaldehyd, ACMC-2098wj, SCHEMBL97761, 1H-Indole-4-carbaldehyde #, KSC181Q4R, Indole-4-carboxaldehyde, 97%, Jsp000671, SCHEMBL10257427, CTK0I1848, KS-00000FPT, DTXSID40318838, CHEBI:143235, AM688, HMS3650A21, ACN-S002670, ACT03592, ALBB-004801, ZINC1576624, AN-254, ANW-15809, BBL008345, CI-064, HTS001529, SBB014557, STK292737, AKOS000265263, AB09519, BS-3817, CM10925, CS-W001288, F2311G1, MCULE-8062190168, NSC-337264, RP01445, RTC-060173, TRA0044491, VI30068, NCGC00329124-01, AC-23426, AJ-27332, AK-28348, CJ-05421, CJ-24954, N464, SC-00273, AB0009784, AB1005667, DB-031770, ST4140235, TC-060173, TL8000263, FT-0085080, FT-0633301, I0712, ST24027189, EN300-66992, A-2618, I-2202, I50022, 82654-EP2298758A1, 82654-EP2298759A1, 82654-EP2305664A1, AB01323273-02, 074I868, SR-01000946761, SR-01000946761-1, C9H7NO, 1H-Indole-4-carboxaldehyde (9CI), CID333703, ACN-037761, Indole-4-carboxaldehyde, 98% - 1G 1g, 111196-81-7,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	145.161g/mol
Monoisotopic Mass	145.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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