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1217-49-8 | 9-Phenanthrenecarboxylic acid, methyl ester
CAS No: 1217-49-8 Catalog No: AG0015LH MDL No:
Product Description
Catalog Number:
AG0015LH
Chemical Name:
9-Phenanthrenecarboxylic acid, methyl ester
CAS Number:
1217-49-8
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
methyl phenanthrene-9-carboxylate
InChI:
InChI=1S/C16H12O2/c1-18-16(17)15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3
InChI Key:
ZIRPXQWFLFUQQM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2c2c1cccc2
NSC Number:
17522
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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