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874632-38-9 | Butanoic acid, [(2S,3R)-3-[(phenylmethoxy)methyl]oxiranyl]methyl ester
CAS No: 874632-38-9 Catalog No: AG004HFB MDL No:
Product Description
Catalog Number:
AG004HFB
Chemical Name:
Butanoic acid, [(2S,3R)-3-[(phenylmethoxy)methyl]oxiranyl]methyl ester
CAS Number:
874632-38-9
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl butanoate
InChI:
InChI=1S/C15H20O4/c1-2-6-15(16)18-11-14-13(19-14)10-17-9-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3/t13-,14+/m1/s1
InChI Key:
XPUXKWRFYYTVLO-KGLIPLIRSA-N
SMILES:
CCCC(=O)OC[C@@H]1O[C@@H]1COCc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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