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114530-61-9 | Oxiranebutanoic acid, 3-(hydroxymethyl)-, methyl ester, cis- (9CI)
CAS No: 114530-61-9 Catalog No: AG000ENY MDL No:
Product Description
Catalog Number:
AG000ENY
Chemical Name:
Oxiranebutanoic acid, 3-(hydroxymethyl)-, methyl ester, cis- (9CI)
CAS Number:
114530-61-9
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
methyl 4-[3-(hydroxymethyl)oxiran-2-yl]butanoate
InChI:
InChI=1S/C8H14O4/c1-11-8(10)4-2-3-6-7(5-9)12-6/h6-7,9H,2-5H2,1H3
InChI Key:
ZWGPMXJKSSFLBU-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]1CCCC(=O)OC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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