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1-phenyl-2,5,8,11-tetraoxatetradecan-14-oic acid

1-phenyl-2,5,8,11-tetraoxatetradecan-14-oic acid

CAS: 127457-64-1

Formula: C16H24O6

SMILES: OC(=O)CCOCCOCCOCCOCC1=CC=CC=C1

IUPAC: 1-phenyl-2,5,8,11-tetraoxatetradecan-14-oic acid

InChI: InChI=1S/C16H24O6/c17-16(18)6-7-19-8-9-20-10-11-21-12-13-22-14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,17,18)

Composition: C (61.52%), H (7.74%), O (30.73%)

Molar Mass: 312.362

Atom Count: 46

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 312.157288493
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey FGLPTVPWFDQWFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.54
Topological Polar Surface Area 74.22
Polarizability 32.07
Ring Count 1
Rotatable Bond Count 14

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