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265644-24-4 | 1(2H)-Naphthalenone, 3,4-dihydro-3,4-dihydroxy-2-(3-methyl-2-buten-1-yl)-, (2R,3R,4R)-
CAS No: 265644-24-4 Catalog No: AG002TPQ MDL No:MFCD20261060
Product Description
Catalog Number:
AG002TPQ
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-3,4-dihydroxy-2-(3-methyl-2-buten-1-yl)-, (2R,3R,4R)-
CAS Number:
265644-24-4
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
MDL Number:
MFCD20261060
IUPAC Name:
(2R,3R,4R)-3,4-dihydroxy-2-(3-methylbut-2-enyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C15H18O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,12,14-15,17-18H,8H2,1-2H3/t12-,14+,15+/m0/s1
InChI Key:
PURPSZILBYSJEM-NWANDNLSSA-N
SMILES:
CC(=CC[C@@H]1[C@@H](O)[C@H](O)c2c(C1=O)cccc2)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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