4-cyanooxane-4-carboxylic acid

4-cyanooxane-4-carboxylic acid

CAS: 848821-06-7

Formula: C7H9NO3

SMILES: OC(=O)C1(CCOCC1)C#N

IUPAC: 4-cyanooxane-4-carboxylic acid

InChI: InChI=1S/C7H9NO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-4H2,(H,9,10)

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 155.153

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	155.058243154
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RCLMLYLFDJEUJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.59
Topological Polar Surface Area	70.32
Polarizability	14.07
Ring Count	1
Rotatable Bond Count	1

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