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101736-45-2 | 2-Propenoic acid, 3-(9-anthracenyl)-, methyl ester
CAS No: 101736-45-2 Catalog No: AG0005CE MDL No:
Product Description
Catalog Number:
AG0005CE
Chemical Name:
2-Propenoic acid, 3-(9-anthracenyl)-, methyl ester
CAS Number:
101736-45-2
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
methyl 3-anthracen-9-ylprop-2-enoate
InChI:
InChI=1S/C18H14O2/c1-20-18(19)11-10-17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-12H,1H3
InChI Key:
VYQBJNASNJHPFC-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1c2ccccc2cc2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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