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101110-21-8 | 5-Acenaphthyleneacetic acid, 1,2-dihydro-α-oxo-, ethyl ester
CAS No: 101110-21-8 Catalog No: AG0003SA MDL No:MFCD09801382
Product Description
Catalog Number:
AG0003SA
Chemical Name:
5-Acenaphthyleneacetic acid, 1,2-dihydro-α-oxo-, ethyl ester
CAS Number:
101110-21-8
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
MDL Number:
MFCD09801382
IUPAC Name:
ethyl 2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoacetate
InChI:
InChI=1S/C16H14O3/c1-2-19-16(18)15(17)13-9-8-11-7-6-10-4-3-5-12(13)14(10)11/h3-5,8-9H,2,6-7H2,1H3
InChI Key:
PEOBJOVWXOXLHX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1ccc2c3c1cccc3CC2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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