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94646-82-9 | 4,8-dihydroxy-3,5-dimethylhexahydrobenzo[1,2-d:5,4-d']bis[1,3]oxazole-2,6(3h,4h)-dione
CAS No: 94646-82-9 Catalog No: AG005VYY MDL No:
Product Description
Catalog Number:
AG005VYY
Chemical Name:
4,8-dihydroxy-3,5-dimethylhexahydrobenzo[1,2-d:5,4-d']bis[1,3]oxazole-2,6(3h,4h)-dione
CAS Number:
94646-82-9
Molecular Formula:
C10H14N2O6
Molecular Weight:
258.2280
IUPAC Name:
2,8-dihydroxy-6,10-dimethyl-4,12-dioxa-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione
InChI:
InChI=1S/C10H14N2O6/c1-11-3-5(13)4-8(18-10(16)12(4)2)6(14)7(3)17-9(11)15/h3-8,13-14H,1-2H3
InChI Key:
MLFZVWIQLHISEX-UHFFFAOYSA-N
SMILES:
OC1C2OC(=O)N(C2C(C2C1OC(=O)N2C)O)C
NSC Number:
115797
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.23g/mol
Monoisotopic Mass:
258.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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