AG007AA7

383132-25-0 | 7-Isopropyl-1H-indole-2-carboxylic acid

AG007AA7

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CAS Number	383132-25-0
Catalog Number	AG007AA7(AGN-PC-0LEV0M)
Chemical Name	7-Isopropyl-1H-indole-2-carboxylic acid
IUPAC Name	7-propan-2-yl-1H-indole-2-carboxylic acid
InChI	InChI=1S/C12H13NO2/c1-7(2)9-5-3-4-8-6-10(12(14)15)13-11(8)9/h3-7,13H,1-2H3,(H,14,15)
InChI Key	FDRHWXHKWSSVBJ-UHFFFAOYSA-N
MDL Number	MFCD02664430
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
SMILES	O=C(C(N1)=CC2=C1C(C(C)C)=CC=C2)O
Synonyms	7-ISOPROPYL-1H-INDOLE-2-CARBOXYLIC ACID, 383132-25-0, 7-propan-2-yl-1H-indole-2-carboxylic Acid, AK-93304, AC1NF2X2, CHEMBL4075940, CTK4H9705, DTXSID30405261, KS-00000RD6, ZINC3748654, 4946AB, MFCD02664430, AKOS001476421, CS-W006884, AJ-45515, BC203568, AX8250423, ST2412569, 4CH-016273, S-1315, C12H13NO2, CID4652066, 7-Isopropyl-1H-indole-2-carboxylicacid,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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