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17773-75-0 | 2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-, ethyl ester
CAS No: 17773-75-0 Catalog No: AG0025HO MDL No:
Product Description
Catalog Number:
AG0025HO
Chemical Name:
2-Butenoic acid, 3-methyl-2-(1-methylethenyl)-, ethyl ester
CAS Number:
17773-75-0
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
ethyl 3-methyl-2-prop-1-en-2-ylbut-2-enoate
InChI:
InChI=1S/C10H16O2/c1-6-12-10(11)9(7(2)3)8(4)5/h2,6H2,1,3-5H3
InChI Key:
MTYLEFXCVKHMFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(C)C)C(=C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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