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(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

CAS: 1822317-82-7

Formula: C9H10O4

SMILES: OC(=O)C1[C@H]2C[C@@H](C=C2)[C@H]1C(O)=O

IUPAC: (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

InChI: InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5-,6-,7?/m1/s1

Composition: C (59.34%), H (5.53%), O (35.13%)

Molar Mass: 182.175

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 182.057908802
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NIDNOXCRFUCAKQ-RKEPMNIXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.9
Topological Polar Surface Area 74.6
Polarizability 16.76
Ring Count 2
Rotatable Bond Count 2

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95% <4 Days 1822317-82-7 $177.10$177.10
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