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147331-60-0 | 1,6,7-Naphthalenetriol, 5,6,7,8-tetrahydro-, (6R,7S)-
CAS No: 147331-60-0 Catalog No: AG001ETS MDL No:MFCD09838897
Product Description
Catalog Number:
AG001ETS
Chemical Name:
1,6,7-Naphthalenetriol, 5,6,7,8-tetrahydro-, (6R,7S)-
CAS Number:
147331-60-0
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD09838897
IUPAC Name:
(6R,7S)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol
InChI:
InChI=1S/C10H12O3/c11-8-3-1-2-6-4-9(12)10(13)5-7(6)8/h1-3,9-13H,4-5H2/t9-,10+/m1/s1
InChI Key:
AUKZSCHMOAPNEN-ZJUUUORDSA-N
SMILES:
O[C@H]1Cc2c(C[C@H]1O)cccc2O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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