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16020-16-9 | 1(4H)-Naphthalenone, 4,4-dimethyl-
CAS No: 16020-16-9 Catalog No: AG001RRF MDL No:
Product Description
Catalog Number:
AG001RRF
Chemical Name:
1(4H)-Naphthalenone, 4,4-dimethyl-
CAS Number:
16020-16-9
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
4,4-dimethylnaphthalen-1-one
InChI:
InChI=1S/C12H12O/c1-12(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChI Key:
LVCLGJPQSZTOBT-UHFFFAOYSA-N
SMILES:
O=C1C=CC(c2c1cccc2)(C)C
NSC Number:
69193
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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