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113668-50-1 | 1(2H)-Naphthalenone, 3,4,5,6-tetrahydro-
CAS No: 113668-50-1 Catalog No: AG00099N MDL No:
Product Description
Catalog Number:
AG00099N
Chemical Name:
1(2H)-Naphthalenone, 3,4,5,6-tetrahydro-
CAS Number:
113668-50-1
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
3,4,5,6-tetrahydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h2,6H,1,3-5,7H2
InChI Key:
MBCYNMIWLYOISR-UHFFFAOYSA-N
SMILES:
O=C1CCCC2=C1C=CCC2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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