1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine

1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine

CAS: 46049-49-4

Formula: C9H11NO2

SMILES: NC[C@H]1COC2=CC=CC=C2O1

IUPAC: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine

InChI: InChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2/t7-/m0/s1

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JHNURUNMNRSGRO-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.64
Topological Polar Surface Area	44.48
Polarizability	18
Ring Count	2
Rotatable Bond Count	1

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