3,4-dihydro-2H-1,5-benzodioxepine

3,4-dihydro-2H-1,5-benzodioxepine

CAS: 7216-18-4

Formula: C9H10O2

SMILES: C1COC2=C(OC1)C=CC=C2

IUPAC: 3,4-dihydro-2H-1,5-benzodioxepine

InChI: InChI=1S/C9H10O2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5H,3,6-7H2

Composition: C (71.98%), H (6.71%), O (21.31%)

Molar Mass: 150.177

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.068079562
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CBXMULHQEVXJDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.88
Topological Polar Surface Area	18.46
Polarizability	16.47
Ring Count	2
Rotatable Bond Count	0

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