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4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

CAS: 14939-93-6

Formula: C12H14O4

SMILES: OC(=O)CCCC1=CC=C2OCCOC2=C1

IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

InChI: InChI=1S/C12H14O4/c13-12(14)3-1-2-9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,1-3,6-7H2,(H,13,14)

Composition: C (64.85%), H (6.35%), O (28.80%)

Molar Mass: 222.24

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 222.089208931
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZFCRXHHGVUYVTG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.53
Topological Polar Surface Area 55.76
Polarizability 22.54
Ring Count 2
Rotatable Bond Count 4

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OTAVA LTD.
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Purity LeadTime CAS PacketSize UnitPrice
99% <10 Days 14939-93-6 $54.74-$164.22$54.74$84.07$164.22
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AA BLOCKS INC
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 14939-93-6 $241.50-$289.80$241.50$258.75$289.80
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