ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylate

ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylate

CAS: 75448-69-0

Formula: C8H11NO3

SMILES: CCOC(=O)C1=C(CO)C=CN1

IUPAC: ethyl 3-(hydroxymethyl)-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C8H11NO3/c1-2-12-8(11)7-6(5-10)3-4-9-7/h3-4,9-10H,2,5H2,1H3

Composition: C (56.80%), H (6.55%), N (8.28%), O (28.37%)

Molar Mass: 169.18

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.073893218
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	WCYXMMUKYMVJKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.28
Topological Polar Surface Area	62.32
Polarizability	16.8
Ring Count	1
Rotatable Bond Count	4

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