5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid

5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid

CAS: 110371-28-3

Formula: C10H14O4

SMILES: COC(=O)C12CC(C1)(CCC2)C(O)=O

IUPAC: 5-(methoxycarbonyl)bicyclo[3.1.1]heptane-1-carboxylic acid

InChI: InChI=1S/C10H14O4/c1-14-8(13)10-4-2-3-9(5-10,6-10)7(11)12/h2-6H2,1H3,(H,11,12)

Composition: C (60.59%), H (7.12%), O (32.29%)

Molar Mass: 198.218

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	198.089208931
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XBHAKHGDPDKVAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.45
Topological Polar Surface Area	63.6
Polarizability	19.06
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	110371-28-3		$244.63-$1,008.80$244.63$392.17$673.37$1,008.80