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Home > Other Heterocycles > 73611-02-6
73611-02-6 | 3-Oxabicyclo[3.1.0]hexan-2-one, 4-hydroxy-6,6-dimethyl-, (1R,4R,5S)-
CAS No: 73611-02-6 Catalog No: AG005MHP MDL No:
Product Description
Catalog Number:
AG005MHP
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 4-hydroxy-6,6-dimethyl-, (1R,4R,5S)-
CAS Number:
73611-02-6
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
(1R,4R,5S)-4-hydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C7H10O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-5,8H,1-2H3/t3-,4+,5-/m1/s1
InChI Key:
QHAPONCMFJQXEN-MROZADKFSA-N
SMILES:
O[C@@H]1OC(=O)[C@@H]2[C@H]1C2(C)C
EC Number:
619-753-7
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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