3-[5-(methoxycarbonyl)-1H-pyrrol-2-yl]propanoic acid

3-[5-(methoxycarbonyl)-1H-pyrrol-2-yl]propanoic acid

Formula: C9H11NO4

SMILES: COC(=O)C1=CC=C(CCC(O)=O)N1

IUPAC: 3-[5-(methoxycarbonyl)-1H-pyrrol-2-yl]propanoic acid

InChI: InChI=1S/C9H11NO4/c1-14-9(13)7-4-2-6(10-7)3-5-8(11)12/h2,4,10H,3,5H2,1H3,(H,11,12)

Composition: C (54.82%), H (5.62%), N (7.10%), O (32.45%)

Molar Mass: 197.19

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.068807838
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MKIXIQIJLIBXKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.66
Topological Polar Surface Area	79.39
Polarizability	18.6
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H11NO4		Quote Only