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1504-39-8 | 9-Anthracenecarboxylic acid, methyl ester
CAS No: 1504-39-8 Catalog No: AG001ML0 MDL No:
Product Description
Catalog Number:
AG001ML0
Chemical Name:
9-Anthracenecarboxylic acid, methyl ester
CAS Number:
1504-39-8
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
methyl anthracene-9-carboxylate
InChI:
InChI=1S/C16H12O2/c1-18-16(17)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChI Key:
PHOYNPDEAQEHQR-UHFFFAOYSA-N
SMILES:
COC(=O)c1c2ccccc2cc2c1cccc2
NSC Number:
176183
Properties
Complexity:
290
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:
4.2
Literature
| Title | Journal |
|---|---|
| Ethyl anthracene-9-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080701 |
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