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137173-40-1 | 2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2S,3R)-
CAS No: 137173-40-1 Catalog No: AG0012W8 MDL No:
Product Description
Catalog Number:
AG0012W8
Chemical Name:
2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2S,3R)-
CAS Number:
137173-40-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
InChI:
InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3/t9-,10+/m1/s1
InChI Key:
CVZUMGUZDAWOGA-ZJUUUORDSA-N
SMILES:
COC(=O)[C@H]1O[C@@H]1c1ccc(cc1)OC
UNII:
VT0V507XJB
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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