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87937-55-1 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(hydroxymethylene)-, (Z)-
CAS No: 87937-55-1 Catalog No: AG004GSG MDL No:
Product Description
Catalog Number:
AG004GSG
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-(hydroxymethylene)-, (Z)-
CAS Number:
87937-55-1
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-(hydroxymethylidene)-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C11H10O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,7,12H,5-6H2
InChI Key:
NTRQACIKHXYOAI-UHFFFAOYSA-N
SMILES:
O/C=C\1/CCc2c(C1=O)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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