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877066-81-4 | 2-Propenoic acid, 4-(1-pyrenyl)butyl ester
CAS No: 877066-81-4 Catalog No: AG004JN0 MDL No:
Product Description
Catalog Number:
AG004JN0
Chemical Name:
2-Propenoic acid, 4-(1-pyrenyl)butyl ester
CAS Number:
877066-81-4
Molecular Formula:
C23H20O2
Molecular Weight:
328.4037
IUPAC Name:
4-pyren-1-ylbutyl prop-2-enoate
InChI:
InChI=1S/C23H20O2/c1-2-21(24)25-15-4-3-6-16-9-10-19-12-11-17-7-5-8-18-13-14-20(16)23(19)22(17)18/h2,5,7-14H,1,3-4,6,15H2
InChI Key:
XOYPDEVOCWZGPN-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.146g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.411g/mol
Monoisotopic Mass:
328.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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