AG003BFV

67111-66-4 | (1R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

AG003BFV

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CAS Number	67111-66-4
Catalog Number	AG003BFV(AGN-PC-0TN4EN)
Chemical Name	(1R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
IUPAC Name	(1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
InChI	InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m1/s1
InChI Key	KPWKPGFLZGMMFX-ZJUUUORDSA-N
MDL Number	MFCD00005535
Molecular Formula	C10H14O4
Molecular Weight	198.2158
SMILES	[C@]12(C(O)=O)C(C)(C)[C@](C)(CC1)C(=O)O2
Synonyms	(1R)-(+)-Camphanic acid, (+)-Camphanic acid, 67111-66-4, D-(1S,3R)-(-)-Camphoric acid, ethyl 2-chloro-5-(trifluoromethyl)benzoate, (1r,4s)-4,7,7-Trimethyl-3-Oxo-2-Oxabicyclo[2.2.1]heptane-1-Carboxylic Acid, (1R)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, (1S,4R)-1,7,7-Trimethyl-2-oxo-3-oxabicyclo(2.2.1)heptane-4-carboxylic acid, 162938-44-5, (1S,4R)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid, 4kz7, AC1L49UN, SCHEMBL5575317, CTK2F4166, ZINC120615, MFCD00005535, (1R)-(+)-Camphanic acid, 98%, AKOS006281832, AJ-94608, AS-36060, FT-0082195, (+)-Camphanic acid, purum, >=98.0% (T), J-800437, 2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid, 4,7,7-trimethyl-3-oxo-, (1R,4S)-, 1U5, (-)-Camphanic acid, - -CAMPHANICACID, (1R)-( )-Camphanic acid, 5-(Benzylthio)-1H-tetrazole, CID181870, C10-H14-O4, (1R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, (1R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid, 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1R,4S)-,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	198.089g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.218g/mol
Monoisotopic Mass	198.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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