AG0013JA

13754-86-4 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-

AG0013JA

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CAS Number	13754-86-4
Catalog Number	AG0013JA(AGN-PC-0JP4TY)
Chemical Name	4H-Indol-4-one, 1,5,6,7-tetrahydro-
IUPAC Name	1,5,6,7-tetrahydroindol-4-one
InChI	InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
InChI Key	KASJZXHXXNEULX-UHFFFAOYSA-N
MDL Number	MFCD00075438
Molecular Formula	C8H9NO
Molecular Weight	135.1632
NSC Number	131681
SMILES	O=C1C2=C(NC=C2)CCC1
Synonyms	13754-86-4, 1,5,6,7-Tetrahydro-4H-indol-4-one, 6,7-dihydro-1H-indol-4(5H)-one, 1,5,6,7-tetrahydroindol-4-one, 1,5,6,7-Tetrahydro-4-indolone, 4-Oxo-4,5,6,7-tetrahydroindole, 4H-Indol-4-one, 1,5,6,7-tetrahydro-, KASJZXHXXNEULX-UHFFFAOYSA-N, 1,5,6,7-Tetrahydro-4H-indole-4-one, NSC131681, pyrrolo[b]cyclohexanone, PubChem24124, ACMC-209cea, AC1Q6JHN, 4,5,6,7-TETRAHYDRO-1H-INDOL-4-ONE, AC1L5RX3, AC1Q6EN3, KSC496Q6F, SCHEMBL689700, 6,7-Dihydroindol-4(5H)-one, CTK3J6862, 1,5,6,7-tetrahyroindol-4-one, DTXSID40299633, ZINC389705, 1,5,6,7-tetrahyro-indol-4-one, BCP05724, 4-keto-4,5,6,7-tetrahydro indole, ANW-20336, BBL010663, MFCD00075438, STK801681, AKOS000505931, AB02874, MCULE-7894088670, NSC-131681, QC-1290, RTC-070035, KS-000008T6, 4-Oxo-4,5,6,7-tetrahydro-1H-indole, 4H-Indol-4-one,1,5,6,7-tetrahydro-, AJ-20917, AK-58760, AM803187, CJ-03414, SC-48328, SY027852, 1,5,6,7-Tetrahydro-4H-indol-4-one #, 4,5,6,7-TETRAHYDRO-4-OXOINDOLE, 1,5,6,7-TETRAHYDRO-INDOL-4-ONE, AB0031097, ST2406359, TC-070035, CS-0038145, FT-0697617, X4029, MFCD00075438 (95%), 1,5,6,7-Tetrahydro-4H-indol-4-one, 98%, 8P-059, F10112, M-3394, AE-641/02486014, I10-0812, J-007037, InChI=1/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H, C8H9NO, KST-1B0338, AR-1B7990, CID280229, ACN-025933, T1435, 13795-24-9,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.166g/mol
Monoisotopic Mass	135.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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

Lot Number