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8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

CAS: 108088-19-3

Formula: C11H12O4

SMILES: COC1=CC=CC2=C1OCC(C2)C(O)=O

IUPAC: 8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

InChI: InChI=1/C11H12O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-4,8H,5-6H2,1H3,(H,12,13)

Composition: C (63.45%), H (5.81%), O (30.74%)

Molar Mass: 208.213

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 208.073558866
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FTXQMXYVEKCYAO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.98
Topological Polar Surface Area 55.76
Polarizability 20.71
Ring Count 2
Rotatable Bond Count 2

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J&W PHARMLAB LLC
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96% <2 Days 108088-19-3 $86.25-$1,828.50$86.25$89.70$101.20$112.70$457.70$1,828.50
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