AG003BJQ

40724-67-2 | 7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

AG003BJQ

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CAS Number	40724-67-2
Catalog Number	AG003BJQ(AGN-PC-0OA720)
Chemical Name	7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
IUPAC Name	(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
InChI	InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
InChI Key	WDODWBQJVMBHCO-LDWIPMOCSA-N
MDL Number	MFCD08061242
Molecular Formula	C10H14O3
Molecular Weight	182.2164
SMILES	O=C([C@@]1(C2(C)C)C(C[C@@]2([H])CC1)=O)O
Synonyms	40724-67-2, (1s,4r)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid, (S)-(+)-Ketopinic Acid, (1S)-(+)-Ketopinic acid, S-(+)-ketopinic acid, AK-88562, Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-, (1R)-(-)-Ketopinic acid, AC1LEO85, AC1Q6DN5, (1S,4R)-7,7-Dimethyl-2-oxo-norbornane-1-carboxylic acid, (1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid, CTK1D5426, ZINC174628, (1S)-(+)-Ketopinic acid 99%, ACT09697, 6370AB, ANW-45771, CK-009, MFCD08061242, (1S)-(+)-Ketopinic acid, 99%, AKOS006282096, CCG-208411, CS-W017111, AJ-17605, BP-12916, DS-18484, AB0006430, AX8033608, ST2414103, TR-016259, FT-0690244, ST24045544, W6128, M-8050, 724K672, SR-05000002262, I04-9755, SR-05000002262-2, (1R,4S)-7,7-dimethyl-3-oxobicyclo[2.2.1]heptane-4-carboxylic acid, Bicyclo[2.2.1]heptane-1-carboxylicacid, 7,7-dimethyl-2-oxo-, (1S,4R)-, Ketopinic acid, - -KETOPINICACID, KST-1A4698, C10H14O3, AR-1A1649, CID739183, NSC169208, 7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid, 464-78-8, Bicyclo[2.2.1]heptane-1-carboxylicacid,7,7-dimethyl-2-oxo-, 40986-96-7, 64234-14-6,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	182.094g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.219g/mol
Monoisotopic Mass	182.094g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

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