AG002YCY

29427-69-8 | 1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-

AG002YCY

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CAS Number	29427-69-8
Catalog Number	AG002YCY(AGN-PC-0JM3U6)
Chemical Name	1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
IUPAC Name	3-oxo-1,2-dihydroindene-1-carboxylic acid
InChI	InChI=1S/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)
InChI Key	HXLJFMRZKCSTQD-UHFFFAOYSA-N
MDL Number	MFCD00092224
Molecular Formula	C10H8O3
Molecular Weight	176.1687
NSC Number	225078
SMILES	O=C(C1CC(C2=C1C=CC=C2)=O)O
Synonyms	29427-69-8, 3-Oxoindan-1-carboxylic acid, 3-OXOINDANE-1-CARBOXYLIC ACID, 3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid, 3-Oxo-1-indancarboxylic acid, 3-Oxo-indan-1-carboxylic acid, 1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-, BRN 2098797, 3-oxo-1,2-dihydroindene-1-carboxylic acid, 3-oxo-1-indanecarboxylic acid, 2,3-Dihydro-3-oxo-1H-indene-1-carboxylic acid, 3-oxoindanecarboxylic acid, (1R)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid, (1S)-3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid, 40985-43-1, 81702-53-6, 3-Oxo-indan-1-carboxylicacid, NSC225078, PubChem9955, 3-carboxy-1-indanone, ACMC-209waz, Maybridge1_002214, 3-oxo-indan-1-carboxylic, 3-oxo-indancarboxylic acid, AC1Q74AW, AC1Q74AX, Oprea1_304561, 4-10-00-02853 (Beilstein Handbook Reference), SCHEMBL916737, AC1L415X, 3-Oxo-indane-1-carboxylic acid, CTK1A1959, HMS547M14, HXLJFMRZKCSTQD-UHFFFAOYSA-N, STR04974, ANW-46137, CCG-47761, CO-104, MFCD00092224, SBB053516, 3-Oxo-1-indancarboxylic acid, 98%, AKOS004907972, AN-6986, CS-W008363, MCULE-1060322815, NE56800, NSC-225078, RP02969, SDCCGMLS-0065878.P001, SS-3073, BC223601, LS-81644, N667, SC-03206, AB0015957, ST2405176, TC-134882, 3-oxo-1,2-dihydro-indene-1-carboxylic acid, 4CH-018101, A5494, FT-0616297, ST50949669, EN300-67329, Nonafluorobutane-1-sulfonic acid potassium salt, O40001, 1H-Indene-1-carboxylicacid, 2,3-dihydro-3-oxo-, 427O698, I14-8551, J-017513, J-512995, SR-01000637355-1, Z1259341366, potassium perfluorobutanesulfonate, C10H8O3, FC-98, CID99815, C10-H8-O3, perfluorobutanesulfonic acid potassium salt, 2942-07-6,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.171g/mol
Monoisotopic Mass	176.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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