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5-(3-methylpiperidin-1-yl)-2-nitrobenzoic acid

5-(3-methylpiperidin-1-yl)-2-nitrobenzoic acid

CAS: 1000018-45-0

Formula: C13H16N2O4

SMILES: CC1CCCN(C1)C1=CC(C(O)=O)=C(C=C1)[N+]([O-])=O

IUPAC: 5-(3-methylpiperidin-1-yl)-2-nitrobenzoic acid

InChI: InChI=1/C13H16N2O4/c1-9-3-2-6-14(8-9)10-4-5-12(15(18)19)11(7-10)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)

Composition: C (59.08%), H (6.10%), N (10.60%), O (24.22%)

Molar Mass: 264.281

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 264.111007003
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VEHSJMVPIQNXGP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.68
Topological Polar Surface Area 83.68
Polarizability 26.04
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1000018-45-0 $101.60$101.60
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