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(1S,2R)-2-carbamoylcyclohexane-1-carboxylic acid

(1S,2R)-2-carbamoylcyclohexane-1-carboxylic acid

CAS: 336103-00-5

Formula: C8H13NO3

SMILES: NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O

IUPAC: (1S,2R)-2-carbamoylcyclohexane-1-carboxylic acid

InChI: InChI=1S/C8H13NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H2,9,10)(H,11,12)/t5-,6+/m1/s1

Composition: C (56.13%), H (7.65%), N (8.18%), O (28.04%)

Molar Mass: 171.196

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 171.089543283
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LNNRRNLGMOUZCT-RITPCOANSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.91
Topological Polar Surface Area 80.39
Polarizability 16.54
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 336103-00-5 $757.00$757.00
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 336103-00-5 $966.00-$6,762.00$966.00$1,817.00$6,762.00
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