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141031-85-8 | Sodium, [[4-(1-methylethyl)phenyl]ethynyl]- (9CI)
CAS No: 141031-85-8 Catalog No: AG001FS3 MDL No:
Product Description
Catalog Number:
AG001FS3
Chemical Name:
Sodium, [[4-(1-methylethyl)phenyl]ethynyl]- (9CI)
CAS Number:
141031-85-8
Molecular Formula:
C11H11Na
Molecular Weight:
166.1948
IUPAC Name:
sodium;1-ethynyl-4-propan-2-ylbenzene
InChI:
InChI=1S/C11H11.Na/c1-4-10-5-7-11(8-6-10)9(2)3;/h5-9H,2-3H3;/q-1;+1
InChI Key:
RROHACADVHUIEQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C#C[Na])C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.199g/mol
Monoisotopic Mass:
166.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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