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10133-07-0 | 2-Oxiranecarboxylic acid, 3-methyl-, methyl ester, (2S,3R)-
CAS No: 10133-07-0 Catalog No: AG00048Y MDL No:
Product Description
Catalog Number:
AG00048Y
Chemical Name:
2-Oxiranecarboxylic acid, 3-methyl-, methyl ester, (2S,3R)-
CAS Number:
10133-07-0
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
IUPAC Name:
methyl (2S,3R)-3-methyloxirane-2-carboxylate
InChI:
InChI=1S/C5H8O3/c1-3-4(8-3)5(6)7-2/h3-4H,1-2H3/t3-,4+/m1/s1
InChI Key:
UZVPEDADFDGCGI-DMTCNVIQSA-N
SMILES:
COC(=O)[C@H]1O[C@@H]1C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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