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119392-30-2 | 4-Pentenoic acid, 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (4E)-
CAS No: 119392-30-2 Catalog No: AG000INY MDL No:MFCD07367272
Product Description
Catalog Number:
AG000INY
Chemical Name:
4-Pentenoic acid, 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (4E)-
CAS Number:
119392-30-2
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD07367272
IUPAC Name:
ethyl (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
InChI:
InChI=1S/C12H20O4/c1-4-14-11(13)8-6-5-7-10-9-15-12(2,3)16-10/h5,7,10H,4,6,8-9H2,1-3H3/b7-5+/t10-/m0/s1
InChI Key:
RRSJYUBUPNAAFL-STUBTGCMSA-N
SMILES:
CCOC(=O)CC/C=C/[C@H]1COC(O1)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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