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3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid

3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid

CAS: 88805-35-0

Formula: C10H12O5

SMILES: CCC(=O)C1=C(O)CC(CC1=O)C(O)=O

IUPAC: 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid

InChI: InChI=1/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,12H,2-4H2,1H3,(H,14,15)

Composition: C (56.60%), H (5.70%), O (37.70%)

Molar Mass: 212.201

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 212.068473486
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XLARNQQPQFWACL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.88
Topological Polar Surface Area 91.67
Polarizability 19.6
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 88805-35-0 $69.00-$1,006.25$69.00$269.10$471.50$1,006.25
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