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130991-86-5 | Sodium, [1-(phenylmethyl)-2,4-cyclopentadien-1-yl](tetrahydrofuran)-
CAS No: 130991-86-5 Catalog No: AG000V8L MDL No:
Product Description
Catalog Number:
AG000V8L
Chemical Name:
Sodium, [1-(phenylmethyl)-2,4-cyclopentadien-1-yl](tetrahydrofuran)-
CAS Number:
130991-86-5
Molecular Formula:
C16H18NaO
Molecular Weight:
249.3033
IUPAC Name:
2-(1-benzylcyclopenta-2,4-dien-1-yl)oxolane;sodium
InChI:
InChI=1S/C16H18O.Na/c1-2-7-14(8-3-1)13-16(10-4-5-11-16)15-9-6-12-17-15;/h1-5,7-8,10-11,15H,6,9,12-13H2;
InChI Key:
CQSJDUAQANPHIP-UHFFFAOYSA-N
SMILES:
C1COC(C1)C1(C=CC=C1)Cc1ccccc1.[Na]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.309g/mol
Monoisotopic Mass:
249.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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