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114116-12-0 | 4-Phenanthrenecarboxylic acid, 5-propyl-
CAS No: 114116-12-0 Catalog No: AG000AMF MDL No:
Product Description
Catalog Number:
AG000AMF
Chemical Name:
4-Phenanthrenecarboxylic acid, 5-propyl-
CAS Number:
114116-12-0
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
5-propylphenanthrene-4-carboxylic acid
InChI:
InChI=1S/C18H16O2/c1-2-5-12-6-3-7-13-10-11-14-8-4-9-15(18(19)20)17(14)16(12)13/h3-4,6-11H,2,5H2,1H3,(H,19,20)
InChI Key:
NJEKNDPFKOCMDN-UHFFFAOYSA-N
SMILES:
CCCc1cccc2c1c1c(cc2)cccc1C(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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