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119253-77-9 | 3-Butenoic acid, 3-methyl-2-methylene-, ethyl ester
CAS No: 119253-77-9 Catalog No: AG000IFV MDL No:
Product Description
Catalog Number:
AG000IFV
Chemical Name:
3-Butenoic acid, 3-methyl-2-methylene-, ethyl ester
CAS Number:
119253-77-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
ethyl 3-methyl-2-methylidenebut-3-enoate
InChI:
InChI=1S/C8H12O2/c1-5-10-8(9)7(4)6(2)3/h2,4-5H2,1,3H3
InChI Key:
LBQGEFRXWMBMHL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C)C(=C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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