AG0030BL

304876-29-7 | Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one, 2',3',5',6'-tetrahydro-

AG0030BL

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CAS Number	304876-29-7
Catalog Number	AG0030BL(AGN-PC-0NT1YM)
Chemical Name	Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one, 2',3',5',6'-tetrahydro-
IUPAC Name	spiro[1H-indole-3,4'-oxane]-2-one
InChI	InChI=1S/C12H13NO2/c14-11-12(5-7-15-8-6-12)9-3-1-2-4-10(9)13-11/h1-4H,5-8H2,(H,13,14)
InChI Key	DRLCYGPZVJLECD-UHFFFAOYSA-N
MDL Number	MFCD11935879
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
SMILES	O=C1NC2=C(C=CC=C2)C13CCOCC3
Synonyms	304876-29-7, 2',3',5',6'-Tetrahydrospiro[indoline-3,4'-pyran]-2-one, AK120604, 2',3',5',6'-Tetrahydrospiro[indole-3,4'-pyran]-2(1H)-one, SCHEMBL1233679, CTK4G5305, DTXSID00653575, DRLCYGPZVJLECD-UHFFFAOYSA-N, BCP21495, KS-00000R3S, 3202AB, MFCD11935879, ZINC32010151, AKOS016011601, DS-6227, SB15337, Spiro[indole-3,4'-oxan]-2(1H)-one, AJ-84571, AX8246020, 1,2-dihydrospiro[indole-3,4'-oxane]-2-one, 1H-SPIRO[INDOLE-3,4'-OXANE]-2-ONE, Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one, 2',3',5',6'-tetrahydro-, Spiro[3H-indole-3,4'-[4H]pyran]-2(1H)-one,2',3',5',6'-tetrahydro-, C12H13NO2,

Complexity	271
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	1
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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