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200135-02-0 | Benzoic acid, 4-methoxy-, 9-anthracenylmethyl ester
CAS No: 200135-02-0 Catalog No: AG002CKC MDL No:
Product Description
Catalog Number:
AG002CKC
Chemical Name:
Benzoic acid, 4-methoxy-, 9-anthracenylmethyl ester
CAS Number:
200135-02-0
Molecular Formula:
C23H18O3
Molecular Weight:
342.3872
IUPAC Name:
anthracen-9-ylmethyl 4-methoxybenzoate
InChI:
InChI=1S/C23H18O3/c1-25-19-12-10-16(11-13-19)23(24)26-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-14H,15H2,1H3
InChI Key:
LTNUSGTUWFYEKO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)OCc1c2ccccc2cc2c1cccc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.394g/mol
Monoisotopic Mass:
342.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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