1-acetamidocyclohexane-1-carboxylic acid

1-acetamidocyclohexane-1-carboxylic acid

CAS: 4854-47-1

Formula: C9H15NO3

SMILES: CC(=O)NC1(CCCCC1)C(O)=O

IUPAC: 1-acetamidocyclohexane-1-carboxylic acid

InChI: InChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)

Composition: C (58.36%), H (8.16%), N (7.56%), O (25.91%)

Molar Mass: 185.223

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	185.105193347
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	APYLGUGGCARYFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.5
Topological Polar Surface Area	66.4
Polarizability	18.36
Ring Count	1
Rotatable Bond Count	2

Suppliers

Acrotein ChemBio Inc.,

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	4854-47-1		$105.60-$985.92$105.60$316.80$985.92