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1609-61-6 | 2-Butenoic acid, 3-butoxy-, ethyl ester
CAS No: 1609-61-6 Catalog No: AG001VH8 MDL No:
Product Description
Catalog Number:
AG001VH8
Chemical Name:
2-Butenoic acid, 3-butoxy-, ethyl ester
CAS Number:
1609-61-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
ethyl 3-butoxybut-2-enoate
InChI:
InChI=1S/C10H18O3/c1-4-6-7-13-9(3)8-10(11)12-5-2/h8H,4-7H2,1-3H3
InChI Key:
OYCXPDKSUFQOIA-UHFFFAOYSA-N
SMILES:
CCCCOC(=CC(=O)OCC)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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