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122246-54-2 | 2-Propenoic acid, 3-[4-[(6-hydroxyhexyl)oxy]phenyl]-
CAS No: 122246-54-2 Catalog No: AG001705 MDL No:
Product Description
Catalog Number:
AG001705
Chemical Name:
2-Propenoic acid, 3-[4-[(6-hydroxyhexyl)oxy]phenyl]-
CAS Number:
122246-54-2
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H20O4/c16-11-3-1-2-4-12-19-14-8-5-13(6-9-14)7-10-15(17)18/h5-10,16H,1-4,11-12H2,(H,17,18)
InChI Key:
OOUIOHASXNAAAE-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccc(cc1)C=CC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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