methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate

methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate

CAS: 180464-87-3

Formula: C8H12O3

SMILES: COC(=O)C12CC(CO)(C1)C2

IUPAC: methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate

InChI: InChI=1S/C8H12O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h9H,2-5H2,1H3

Composition: C (61.52%), H (7.74%), O (30.73%)

Molar Mass: 156.181

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	156.078644246
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BYTLJVZXUYVJKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.31
Topological Polar Surface Area	46.53
Polarizability	15.45
Ring Count	2
Rotatable Bond Count	3

Suppliers

Coreychem

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Purity	LeadTime	CAS		UnitPrice
97%	<10 Days	180464-87-3		Quote Only

Custom Synthesis. Higher purity available. Multi gram to multi kg

Key Organics Ltd

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AA BLOCKS INC

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Struchem co.,ltd

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