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1220891-22-4 | 1(2H)-Naphthalenone, 3,4-dihydro-3,4-dihydroxy-, (3S,4S)-
CAS No: 1220891-22-4 Catalog No: AG0016QF MDL No:MFCD19441053
Product Description
Catalog Number:
AG0016QF
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-3,4-dihydroxy-, (3S,4S)-
CAS Number:
1220891-22-4
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD19441053
IUPAC Name:
3,4-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H10O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,9-10,12-13H,5H2
InChI Key:
NOCQQUBFJURTDN-UHFFFAOYSA-N
SMILES:
O[C@H]1CC(=O)c2c([C@@H]1O)cccc2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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