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113842-13-0 | 9-Phenanthrenecarboxylic acid, 1-methylethyl ester
CAS No: 113842-13-0 Catalog No: AG0009V7 MDL No:
Product Description
Catalog Number:
AG0009V7
Chemical Name:
9-Phenanthrenecarboxylic acid, 1-methylethyl ester
CAS Number:
113842-13-0
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
propan-2-yl phenanthrene-9-carboxylate
InChI:
InChI=1S/C18H16O2/c1-12(2)20-18(19)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-12H,1-2H3
InChI Key:
INJDTYYBRCXNBH-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cc2ccccc2c2c1cccc2)C
Properties
Complexity:
349
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:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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