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871314-06-6 | Oxiranemethanol, 3-methyl-, acetate, (2R,3R)-
CAS No: 871314-06-6 Catalog No: AG004TVO MDL No:
Product Description
Catalog Number:
AG004TVO
Chemical Name:
Oxiranemethanol, 3-methyl-, acetate, (2R,3R)-
CAS Number:
871314-06-6
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
acetic acid;[(2R,3R)-3-methyloxiran-2-yl]methanol
InChI:
InChI=1S/C4H8O2.C2H4O2/c1-3-4(2-5)6-3;1-2(3)4/h3-5H,2H2,1H3;1H3,(H,3,4)/t3-,4-;/m1./s1
InChI Key:
LIRMJFFHICLGSX-VKKIDBQXSA-N
SMILES:
C[C@H]1O[C@@H]1CO.CC(=O)O
Properties
Complexity:
84.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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