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817555-11-6 | Ethanone, 1-[(7S,8R)-7,8-dihydro-7,8-dihydroxy-2-naphthalenyl]- (9CI)
CAS No: 817555-11-6 Catalog No: AG00574T MDL No:
Product Description
Catalog Number:
AG00574T
Chemical Name:
Ethanone, 1-[(7S,8R)-7,8-dihydro-7,8-dihydroxy-2-naphthalenyl]- (9CI)
CAS Number:
817555-11-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
1-[(7S,8R)-7,8-dihydroxy-7,8-dihydronaphthalen-2-yl]ethanone
InChI:
InChI=1S/C12H12O3/c1-7(13)9-3-2-8-4-5-11(14)12(15)10(8)6-9/h2-6,11-12,14-15H,1H3/t11-,12+/m0/s1
InChI Key:
MXKQTBLRGYPLAG-NWDGAFQWSA-N
SMILES:
O[C@H]1C=Cc2c([C@H]1O)cc(cc2)C(=O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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