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19042-26-3 | 1,2-Cyclobutanediol, 3,3-dimethyl-, (1R,2S)-rel-
CAS No: 19042-26-3 Catalog No: AG002EJH MDL No:
Product Description
Catalog Number:
AG002EJH
Chemical Name:
1,2-Cyclobutanediol, 3,3-dimethyl-, (1R,2S)-rel-
CAS Number:
19042-26-3
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
(1R,2S)-3,3-dimethylcyclobutane-1,2-diol
InChI:
InChI=1S/C6H12O2/c1-6(2)3-4(7)5(6)8/h4-5,7-8H,3H2,1-2H3/t4-,5-/m1/s1
InChI Key:
WEKSLMZQHJLBGL-RFZPGFLSSA-N
SMILES:
O[C@@H]1[C@H](O)CC1(C)C
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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