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81558-09-0 | Propanoic acid, 2,2-dimethyl-, 9-phenanthrenylmethyl ester
CAS No: 81558-09-0 Catalog No: AG005JU6 MDL No:
Product Description
Catalog Number:
AG005JU6
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 9-phenanthrenylmethyl ester
CAS Number:
81558-09-0
Molecular Formula:
C20H20O2
Molecular Weight:
292.3716
IUPAC Name:
phenanthren-9-ylmethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C20H20O2/c1-20(2,3)19(21)22-13-15-12-14-8-4-5-9-16(14)18-11-7-6-10-17(15)18/h4-12H,13H2,1-3H3
InChI Key:
PAYKZPNFOGAHCZ-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OCc1cc2ccccc2c2c1cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.146g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.378g/mol
Monoisotopic Mass:
292.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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