AG00DAP0

494799-17-6 | 3-cyclohexylindole-6-carboxylicacid

AG00DAP0

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CAS Number	494799-17-6
Catalog Number	AG00DAP0(AGN-PC-0053M5)
Chemical Name	3-cyclohexylindole-6-carboxylicacid
IUPAC Name	3-cyclohexyl-1H-indole-6-carboxylic acid
InChI	InChI=1S/C15H17NO2/c17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H,17,18)
InChI Key	OZJSQVKDKOOQIT-UHFFFAOYSA-N
MDL Number	MFCD09833286
Molecular Formula	C15H17NO2
Molecular Weight	243.3010
SMILES	O=C(C1=CC2=C(C=C1)C(C3CCCCC3)=CN2)O
Synonyms	3-cyclohexyl-1H-indole-6-carboxylic Acid, 494799-17-6, 3-Cyclohexylindole-6-carboxylic acid, 3-cyclohexylindole-6-carboxylicacid, 3-cyclohexyl-1H-indole-6-carboxylicacid, SCHEMBL1173806, CTK1D5062, DTXSID70459864, OZJSQVKDKOOQIT-UHFFFAOYSA-N, BH167, 6701AB, ANW-57835, FC0208, MFCD09833286, ZINC22010831, 3-cyclohexyl-6-indole carboxylic acid, QC-9762, SB15022, ACM494799176, AJ-80445, AK-35318, DS-12608, 1H-Indole-6-carboxylicacid, 3-cyclohexyl-, AX8158895, DB-070999, TC-146580, 1H-Indole-6-carboxylic acid, 3-cyclohexyl-, CS-0077491, FT-0647911, C15H17NO2, CID11241989, A7380,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.126g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	243.306g/mol
Monoisotopic Mass	243.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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