ethyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate

ethyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate

CAS: 2104163-54-2

Formula: C16H19NO3

SMILES: CCOC(=O)C1=C(C)C=C(N1)C1=CC=C(OC)C(C)=C1

IUPAC: ethyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C16H19NO3/c1-5-20-16(18)15-11(3)9-13(17-15)12-6-7-14(19-4)10(2)8-12/h6-9,17H,5H2,1-4H3

Composition: C (70.31%), H (7.01%), N (5.12%), O (17.56%)

Molar Mass: 273.332

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.136493476
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CSSLZKFSYDSCON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.03
Topological Polar Surface Area	51.32
Polarizability	31.29
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2104163-54-2		$35.31-$158.89$35.31$59.27$158.89