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4-(methoxymethyl)-1H-pyrrole-2-carboxylic acid

4-(methoxymethyl)-1H-pyrrole-2-carboxylic acid

CAS: 1550887-26-7

Formula: C7H9NO3

SMILES: COCC1=CNC(=C1)C(O)=O

IUPAC: 4-(methoxymethyl)-1H-pyrrole-2-carboxylic acid

InChI: InChI=1S/C7H9NO3/c1-11-4-5-2-6(7(9)10)8-3-5/h2-3,8H,4H2,1H3,(H,9,10)

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 155.153

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 155.058243154
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HPGFFKIPZHRKMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.52
Topological Polar Surface Area 62.32
Polarizability 14.81
Ring Count 1
Rotatable Bond Count 3

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