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139265-06-8 | 1,2-Cyclobutanedicarboxylic acid, 3-(2-naphthalenyl)-, 1,2-dimethyl ester
CAS No: 139265-06-8 Catalog No: AG001AME MDL No:
Product Description
Catalog Number:
AG001AME
Chemical Name:
1,2-Cyclobutanedicarboxylic acid, 3-(2-naphthalenyl)-, 1,2-dimethyl ester
CAS Number:
139265-06-8
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
dimethyl 3-naphthalen-2-ylcyclobutane-1,2-dicarboxylate
InChI:
InChI=1S/C18H18O4/c1-21-17(19)15-10-14(16(15)18(20)22-2)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14-16H,10H2,1-2H3
InChI Key:
HFLLMLQBAWGWRM-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(CC1c1ccc2c(c1)cccc2)C(=O)OC
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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