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88315-78-0 | Propanoic acid, 2-methyl-, (10-phenyl-9-anthracenyl)methyl ester
CAS No: 88315-78-0 Catalog No: AG0048H6 MDL No:
Product Description
Catalog Number:
AG0048H6
Chemical Name:
Propanoic acid, 2-methyl-, (10-phenyl-9-anthracenyl)methyl ester
CAS Number:
88315-78-0
Molecular Formula:
C25H22O2
Molecular Weight:
354.4410
IUPAC Name:
(10-phenylanthracen-9-yl)methyl 2-methylpropanoate
InChI:
InChI=1S/C25H22O2/c1-17(2)25(26)27-16-23-19-12-6-8-14-21(19)24(18-10-4-3-5-11-18)22-15-9-7-13-20(22)23/h3-15,17H,16H2,1-2H3
InChI Key:
LLARYZMQWIQUQU-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)OCc1c2ccccc2c(c2c1cccc2)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.449g/mol
Monoisotopic Mass:
354.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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