8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

CAS: 125962-59-6

Formula: C14H17BrO3

SMILES: OC1(CCC2(CC1)OCCO2)C1=CC=C(Br)C=C1

IUPAC: 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

InChI: InChI=1S/C14H17BrO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2

Composition: C (53.69%), H (5.47%), Br (25.51%), O (15.33%)

Molar Mass: 313.191

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	312.036107
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QQRKZYWRDVOVKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.29
Topological Polar Surface Area	38.69
Polarizability	28.42
Ring Count	3
Rotatable Bond Count	1

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