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27593-43-7 | 3-Butenoic acid, 3-(acetyloxy)-, ethyl ester
CAS No: 27593-43-7 Catalog No: AG002U63 MDL No:
Product Description
Catalog Number:
AG002U63
Chemical Name:
3-Butenoic acid, 3-(acetyloxy)-, ethyl ester
CAS Number:
27593-43-7
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
ethyl 3-acetyloxybut-3-enoate
InChI:
InChI=1S/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h2,4-5H2,1,3H3
InChI Key:
MSFQVKVROYFEJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=C)OC(=O)C
EC Number:
248-553-9
Properties
Complexity:
195
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:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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