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166978-48-9 | 1(2H)-Naphthalenone, 7-ethynyl-3,4-dihydro-4,4-dimethyl-
CAS No: 166978-48-9 Catalog No: AG001X29 MDL No:
Product Description
Catalog Number:
AG001X29
Chemical Name:
1(2H)-Naphthalenone, 7-ethynyl-3,4-dihydro-4,4-dimethyl-
CAS Number:
166978-48-9
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
7-ethynyl-4,4-dimethyl-2,3-dihydronaphthalen-1-one
InChI:
InChI=1S/C14H14O/c1-4-10-5-6-12-11(9-10)13(15)7-8-14(12,2)3/h1,5-6,9H,7-8H2,2-3H3
InChI Key:
FSENXSHCDBCKEZ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)C(=O)CCC2(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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