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20127-81-5 | 2,3-Butanediol, 2,3-dimethyl-, 2-acetate
CAS No: 20127-81-5 Catalog No: AG002DBE MDL No:
Product Description
Catalog Number:
AG002DBE
Chemical Name:
2,3-Butanediol, 2,3-dimethyl-, 2-acetate
CAS Number:
20127-81-5
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
acetic acid;2,3-dimethylbutane-2,3-diol
InChI:
InChI=1S/C6H14O2.C2H4O2/c1-5(2,7)6(3,4)8;1-2(3)4/h7-8H,1-4H3;1H3,(H,3,4)
InChI Key:
JSKCFTMTTFLUJI-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(O)(C)C)(C)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.228g/mol
Monoisotopic Mass:
178.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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