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methyl 1,4,5,6-tetrahydropyridine-3-carboxylate

methyl 1,4,5,6-tetrahydropyridine-3-carboxylate

CAS: 14997-05-8

Formula: C7H11NO2

SMILES: COC(=O)C1=CNCCC1

IUPAC: methyl 1,4,5,6-tetrahydropyridine-3-carboxylate

InChI: InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h5,8H,2-4H2,1H3

Composition: C (59.56%), H (7.85%), N (9.92%), O (22.67%)

Molar Mass: 141.17

Atom Count: 21

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 141.078978598
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OHOMMMWAZVAKNI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.7
Topological Polar Surface Area 38.33
Polarizability 14.57
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 14997-05-8 $233.75-$2,102.82$233.75$289.85$516.12$742.39$2,102.82
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97% <5 Days 14997-05-8 $184.11-$1,701.09$184.11$366.95$567.45$1,701.09
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