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3-(3-methoxy-3-oxopropyl)pyridine-4-carboxylic acid

3-(3-methoxy-3-oxopropyl)pyridine-4-carboxylic acid

CAS: 2816913-28-5

Formula: C10H11NO4

SMILES: COC(=O)CCC1=CN=CC=C1C(O)=O

IUPAC: 3-(3-methoxy-3-oxopropyl)pyridine-4-carboxylic acid

InChI: InChI=1S/C10H11NO4/c1-15-9(12)3-2-7-6-11-5-4-8(7)10(13)14/h4-6H,2-3H2,1H3,(H,13,14)

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.068807838
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UHBMTLQNAFHOBL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.83
Topological Polar Surface Area 76.49
Polarizability 19.97
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2816913-28-5 $342.70-$6,897.70$342.70$457.70$687.70$1,127.00$1,817.00$6,897.70
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