5-(hydroxymethyl)adamantan-2-one

5-(hydroxymethyl)adamantan-2-one

CAS: 110874-17-4

Formula: C11H16O2

SMILES: OCC12CC3CC(C1)C(=O)C(C3)C2

IUPAC: 5-(hydroxymethyl)adamantan-2-one

InChI: InChI=1/C11H16O2/c12-6-11-3-7-1-8(4-11)10(13)9(2-7)5-11/h7-9,12H,1-6H2

Composition: C (73.30%), H (8.95%), O (17.75%)

Molar Mass: 180.247

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	180.115029755
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ORLCIDAOJDSXNX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.14
Topological Polar Surface Area	37.3
Polarizability	19.5
Ring Count	3
Rotatable Bond Count	1

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95%	<8 Days	110874-17-4		$534.29-$7,693.71$534.29$1,602.86$2,564.57$4,808.57$7,693.71