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(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

CAS: 28874-45-5

Formula: C10H14O5

SMILES: C[C@@]1([C@@H]2CC[C@@H](O2)[C@@]1(C)C(O)=O)C(O)=O

IUPAC: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

InChI: InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9-,10-/m1/s1

Composition: C (56.07%), H (6.59%), O (37.34%)

Molar Mass: 214.217

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 214.084123551
Formal Charge 0
FSP3 0.8
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey NMTNUQBORQILRK-XCVPVQRUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.61
Topological Polar Surface Area 83.83
Polarizability 19.59
Ring Count 2
Rotatable Bond Count 2

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