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127700-79-2 | 3-Butenoic acid, 2-(acetyloxy)-, ethyl ester
CAS No: 127700-79-2 Catalog No: AG000XBJ MDL No:
Product Description
Catalog Number:
AG000XBJ
Chemical Name:
3-Butenoic acid, 2-(acetyloxy)-, ethyl ester
CAS Number:
127700-79-2
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
ethyl 2-acetyloxybut-3-enoate
InChI:
InChI=1S/C8H12O4/c1-4-7(12-6(3)9)8(10)11-5-2/h4,7H,1,5H2,2-3H3
InChI Key:
XWBMUYBLQFMGFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(OC(=O)C)C=C
Properties
Complexity:
186
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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