4-acetyl-4-(ethoxycarbonyl)heptanedioic acid

4-acetyl-4-(ethoxycarbonyl)heptanedioic acid

CAS: 72653-14-6

Formula: C12H18O7

SMILES: CCOC(=O)C(CCC(O)=O)(CCC(O)=O)C(C)=O

IUPAC: 4-acetyl-4-(ethoxycarbonyl)heptanedioic acid

InChI: InChI=1S/C12H18O7/c1-3-19-11(18)12(8(2)13,6-4-9(14)15)7-5-10(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17)

Composition: C (52.55%), H (6.62%), O (40.83%)

Molar Mass: 274.269

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	274.10525292
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	OYYWSHUPASUUHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.87
Topological Polar Surface Area	117.97
Polarizability	24.94
Ring Count	0
Rotatable Bond Count	10

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