2,5-dimethoxy-4-(pyrrolidin-1-yl)benzaldehyde

2,5-dimethoxy-4-(pyrrolidin-1-yl)benzaldehyde

CAS: 692775-87-4

Formula: C13H17NO3

SMILES: COC1=CC(C=O)=C(OC)C=C1N1CCCC1

IUPAC: 2,5-dimethoxy-4-(pyrrolidin-1-yl)benzaldehyde

InChI: InChI=1S/C13H17NO3/c1-16-12-8-11(14-5-3-4-6-14)13(17-2)7-10(12)9-15/h7-9H,3-6H2,1-2H3

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.120843411
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PVYKEKQDQZMXCB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.54
Topological Polar Surface Area	38.77
Polarizability	25.04
Ring Count	2
Rotatable Bond Count	4

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