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(S)-Camphanic Acid

CAT: 0572-TRC-C175110-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C175110-5GSize:5 g
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CAS Number
13429-83-9
Synonyms
Camphanic Acid; (-)-ω-Camphanic Acid; (-)-Camphanic Acid; (-)-ω-Camphanic Acid; (1S)-(-)-Camphanic Acid; (1S)-Camphanic Acid; (1S,4R)-(-)-Camphanic Acid; (1S,4R)-ω-Camphanic Acid; (1S)-4,7,7-Trimethyl-3-oxo-2-Oxabicyclo[2.2.1]heptane-1-carboxylic Acid
Hazard Statement
No Data Available
Smiles
CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(=O)O
Molecular Formula
C10H14O4
Molecular Weight
198.22
Shipping Conditions
Room Temperature

Chemical Information

4,7,7-Trimethyl(2-oxabicyclo(2.2.1)hept-1-yl)carboxylic acid

(1S)-(-)-Camphanic acid is a delta-lactone.

CAS Number13429-83-9
PubChem CID114518
IUPAC Name4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Molecular FormulaC10H14O4
Molecular Weight198.22
XLogP1.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity333
SMILES
CC1(C2(CCC1(OC2=O)C(=O)O)C)C
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)
InChIKey
KPWKPGFLZGMMFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,7,7-Trimethyl(2-oxabicyclo(2.2.1)hept-1-yl)carboxylic acid
CAS: 13429-83-9
CID: 114518
Formula: C10H14O4
MW: 198.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass198.08920892
Monoisotopic Mass198.08920892
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity333
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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465581-01S-Camphanic Acid
OR5941-01(-) -Camphanic acid
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003942S-Bicalutamide (1S) -Camphanic Acid Ester
MBS6017256-01(S)-Bicalutamide (1S)-Camphanic Acid Ester
sc-220063(S) -Bicalutamide (1S) -Camphanic Acid Ester
269641-01(1S) - (-) -Camphanic acid
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