AG00DEH5

4771-48-6 | 4-METHYLINDOLE-3-CARBOXALDEHYDE

AG00DEH5

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CAS Number	4771-48-6
Catalog Number	AG00DEH5(AGN-PC-0KKOU4)
Chemical Name	4-METHYLINDOLE-3-CARBOXALDEHYDE
IUPAC Name	4-methyl-1H-indole-3-carbaldehyde
InChI	InChI=1S/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3
InChI Key	OXMKZTMGJSTKPG-UHFFFAOYSA-N
MDL Number	MFCD00049345
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	CC1=CC=CC2=C1C(C=O)=CN2
Synonyms	4-methyl-1H-indole-3-carbaldehyde, 4771-48-6, 3-Formyl-4-methylindole, 4-METHYLINDOLE-3-CARBOXALDEHYDE, 4-METHYLINDOLE-3-CARBALDEHYDE, 1H-Indole-3-carboxaldehyde, 4-methyl-, AC1MC6UR, AC1Q2GMS, 3-formyl-4-methyl-1H-indole, SCHEMBL2309341, CTK1D5521, DTXSID80376210, OXMKZTMGJSTKPG-UHFFFAOYSA-N, ALBB-005042, ZINC2509984, ANW-54686, CM-047, MFCD00049345, STK501558, 3-formyl-4-methylindole, AldrichCPR, AKOS005171419, EBD2047274, MB00440, MCULE-3133190331, RP07360, VI30439, NCGC00326798-01, AJ-36370, AK-38454, AS-11395, CJ-08547, SC-81555, AB0009788, DB-051472, TC-060170, FT-0635436, ST24043878, EN300-52466, J3.657.031H, K-9130, M-4000, AB01321454-02, I10-1232, C10H9NO, CID2762437,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number