Text Search
Structure Search

methyl (1s,4s)-4-hydroxy-1-methylcyclohexane-1-carboxylate

methyl (1s,4s)-4-hydroxy-1-methylcyclohexane-1-carboxylate

CAS: 87787-05-1

Formula: C9H16O3

SMILES: COC(=O)[C@]1(C)CC[C@H](O)CC1

IUPAC: methyl (1s,4s)-4-hydroxy-1-methylcyclohexane-1-carboxylate

InChI: InChI=1/C9H16O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h7,10H,3-6H2,1-2H3/t7-,9+

Composition: C (62.77%), H (9.36%), O (27.87%)

Molar Mass: 172.224

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 172.109944375
Formal Charge 0
FSP3 0.89
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BAGVQRARNBDKOA-OTSSQURYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.79
Topological Polar Surface Area 46.53
Polarizability 17.99
Ring Count 1
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 87787-05-1 $291.29-$451.44$291.29$451.44
Request Quote