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76657-06-2 | 1(4H)-Naphthalenone, 5,6,7,8-tetrahydro-4,4-dimethoxy-
CAS No: 76657-06-2 Catalog No: AG005J4Z MDL No:
Product Description
Catalog Number:
AG005J4Z
Chemical Name:
1(4H)-Naphthalenone, 5,6,7,8-tetrahydro-4,4-dimethoxy-
CAS Number:
76657-06-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
4,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-1-one
InChI:
InChI=1S/C12H16O3/c1-14-12(15-2)8-7-11(13)9-5-3-4-6-10(9)12/h7-8H,3-6H2,1-2H3
InChI Key:
NFSYCDFGENYQIV-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=O)C2=C1CCCC2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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