cyclohexane-1,1-dicarboxylic acid

cyclohexane-1,1-dicarboxylic acid

CAS: 1127-08-8

Formula: C8H12O4

SMILES: OC(=O)C1(CCCCC1)C(O)=O

IUPAC: cyclohexane-1,1-dicarboxylic acid

InChI: InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)

Composition: C (55.81%), H (7.03%), O (37.17%)

Molar Mass: 172.18

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.073558866
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QYQADNCHXSEGJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.06
Topological Polar Surface Area	74.6
Polarizability	15.89
Ring Count	1
Rotatable Bond Count	2

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