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113918-64-2 | 2-Propenoic acid, 2-methyl-, 4-(phenylmethoxy)-1-naphthalenyl ester
CAS No: 113918-64-2 Catalog No: AG000A2C MDL No:
Product Description
Catalog Number:
AG000A2C
Chemical Name:
2-Propenoic acid, 2-methyl-, 4-(phenylmethoxy)-1-naphthalenyl ester
CAS Number:
113918-64-2
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
(4-phenylmethoxynaphthalen-1-yl) 2-methylprop-2-enoate
InChI:
InChI=1S/C21H18O3/c1-15(2)21(22)24-20-13-12-19(17-10-6-7-11-18(17)20)23-14-16-8-4-3-5-9-16/h3-13H,1,14H2,2H3
InChI Key:
ZNTCXYCSESETMK-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Oc1ccc(c2c1cccc2)OCc1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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