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833485-04-4 | Benzoic acid, 4-[[(2-methyl-1-naphthalenyl)oxy]methyl]-, methyl ester
CAS No: 833485-04-4 Catalog No: AG00556H MDL No:
Product Description
Catalog Number:
AG00556H
Chemical Name:
Benzoic acid, 4-[[(2-methyl-1-naphthalenyl)oxy]methyl]-, methyl ester
CAS Number:
833485-04-4
Molecular Formula:
C20H18O3
Molecular Weight:
306.3551
IUPAC Name:
methyl 4-[(2-methylnaphthalen-1-yl)oxymethyl]benzoate
InChI:
InChI=1S/C20H18O3/c1-14-7-10-16-5-3-4-6-18(16)19(14)23-13-15-8-11-17(12-9-15)20(21)22-2/h3-12H,13H2,1-2H3
InChI Key:
VYTPQDQRKCPAKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)COc1c(C)ccc2c1cccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.361g/mol
Monoisotopic Mass:
306.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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