AG00350V

487-89-8 | Indole-3-Carboxaldehyde

AG00350V

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CAS Number	487-89-8
Catalog Number	AG00350V(AGN-PC-0WA4LR)
Chemical Name	Indole-3-Carboxaldehyde
EC Number	207-665-8
IUPAC Name	1H-indole-3-carbaldehyde
InChI	InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChI Key	OLNJUISKUQQNIM-UHFFFAOYSA-N
MDL Number	MFCD00005622
Molecular Formula	C9H7NO
Molecular Weight	145.1580
NSC Number	10118
SMILES	O=CC1=CNC2=C1C=CC=C2
UNII	7FN04C32UO
Synonyms	3-indolemethanal, indole-3-aldehyde, indole-3-carbaldehyde, indole-3-carboxaldehyde, INDOLE-3-CARBOXALDEHYDE, 1H-Indole-3-carbaldehyde, 487-89-8, 3-Formylindole, 1H-Indole-3-carboxaldehyde, Indole-3-aldehyde, Indole-3-carbaldehyde, INDOLE-3-CARBOXYALDEHYDE, 3-Indolecarboxaldehyde, beta-Indolylaldehyde, 3-Indolecarbaldehyde, Indol-3-carboxaldehyde, 3-Indolealdehyde, 3-Formylindol, UNII-7FN04C32UO, MFCD00005622, NSC 10118, Indol-3-carbaldehyde, 3-Formyl-1H-indole, .beta.-Indolylaldehyde, 1H-indole-3-aldehyde, EINECS 207-665-8, BRN 0114117, AI3-52407, 7FN04C32UO, CHEMBL147741, Indole-3-carboxaldehyde, 97%, OLNJUISKUQQNIM-UHFFFAOYSA-N, Indole-3-carboxaldehyde (3-Formylindole), 1H-indol-3-carbaldehyde, 4877-89-8, 3-indolemethanal, Indol-3-carbaldehyd, b-Indolylaldehyde, 3-formyl indole, 3-formyl-indole, A-Indolylaldehyde, Indol-3-aldehyde, 3-indole aldehyde, indolyl-3-aldehyde, 3-indolylformaldehyde, PubChem7247, indole-3-carboaldehyde, indole 3-carboxaldehyde, I3CHO, AC1L1UTE, 1H-indole-3-carbaldehyd, Indole-3- carboxaldehyde, h-indole-3-carboxaldehyde, indole-3-carboxy-aldehyde, ACMC-1AJZ9, 1H-Indole-3-carboxaldehde, bmse000645, AC1Q6PY4, SCHEMBL56373, 5-21-08-00246 (Beilstein Handbook Reference), KSC235E7B, DTXSID5060069, CHEBI:28238, CTK1D5270, OLNJUISKUQQNIM-UHFFFAOYSA-, ZINC87959, ACN-S002805, ACT03589, BCP00081, KS-000000PW, NSC10118, AM1029, ANW-30696, BBL009350, BDBM50182880, NSC-10118, SBB004120, STK387546, AKOS000119898, CS-W007376, MCULE-6521465109, PS-5323, RL03805, RP01451, RTC-020179, SB14957, TRA0089274, VI30397, NCGC00161738-01, NCGC00161738-02, AC-23425, AJ-10795, AK-49824, AN-45251, BAS 07339836, BC220141, BR-49824, LS-82451, SC-04781, ST098646, ZB003144, AB1003215, DB-011568, ST2419426, TC-020179, TL8003274, BB 0242392, FT-0615872, FT-0652575, I0027, 87I898, C08493, I-2200, M-6223, 82648-EP2298758A1, 82648-EP2298759A1, 82648-EP2305664A1, AB00443651-03, Indole-3-carboxaldehyde, purum, >=98.0% (T), A827605, AG-205/01412034, CU-00000000108-1, I01-2972, I10-0309, F0918-0115, InChI=1/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H, 1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde487-89-8246045-99-8.beta.-IndolylaldehydeIndole-3-carbaldehydeIndole-3-carboxaldehyde57210_FLUKA129445_ALDRICHZINC00087959SBB004120BAS 07339836C084933, Indole-3-carbaldehyd, 1H-Indol-3-carboxaldehyd, C9H7NO, Indole-3-carboxaldehyde-13C, C9-H7-N-O, CID10256, 1H-Indole-3-carboxaldehyde (9CI), ACN-029619, 3H-Indole-delta3,alpha-methanol (8CI), A7354, Indole-3-carboxaldehyde, 98% - 100G 100g, C012381, Indole-3-carboxaldehyde, 1H-; (3-Formylindole), I3A, 1093452-52-8, 25156-46-1, 38869-46-4,

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	1.7

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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