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114807-11-3 | 2-Phenanthrenecarboxylic acid, 9,10-dihydro-7-(octyloxy)-
CAS No: 114807-11-3 Catalog No: AG000F9W MDL No:
Product Description
Catalog Number:
AG000F9W
Chemical Name:
2-Phenanthrenecarboxylic acid, 9,10-dihydro-7-(octyloxy)-
CAS Number:
114807-11-3
Molecular Formula:
C23H28O3
Molecular Weight:
352.4666
IUPAC Name:
7-octoxy-9,10-dihydrophenanthrene-2-carboxylic acid
InChI:
InChI=1S/C23H28O3/c1-2-3-4-5-6-7-14-26-20-11-13-22-18(16-20)9-8-17-15-19(23(24)25)10-12-21(17)22/h10-13,15-16H,2-9,14H2,1H3,(H,24,25)
InChI Key:
QKZMDPPOZYCJGK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc2c(c1)CCc1c2ccc(c1)C(=O)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.474g/mol
Monoisotopic Mass:
352.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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