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113973-13-0 | 2-Oxiranebutanoic acid, 3-formyl-, methyl ester, (2R,3R)-rel-
CAS No: 113973-13-0 Catalog No: AG000A89 MDL No:
Product Description
Catalog Number:
AG000A89
Chemical Name:
2-Oxiranebutanoic acid, 3-formyl-, methyl ester, (2R,3R)-rel-
CAS Number:
113973-13-0
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
methyl 4-(3-formyloxiran-2-yl)butanoate
InChI:
InChI=1S/C8H12O4/c1-11-8(10)4-2-3-6-7(5-9)12-6/h5-7H,2-4H2,1H3
InChI Key:
HSJFBBYZKRQFKA-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1O[C@@H]1CCCC(=O)OC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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