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807330-53-6 | 2-Pentenoic acid, 3-methyl-, butyl ester
CAS No: 807330-53-6 Catalog No: AG005JRB MDL No:
Product Description
Catalog Number:
AG005JRB
Chemical Name:
2-Pentenoic acid, 3-methyl-, butyl ester
CAS Number:
807330-53-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
butyl 3-methylpent-2-enoate
InChI:
InChI=1S/C10H18O2/c1-4-6-7-12-10(11)8-9(3)5-2/h8H,4-7H2,1-3H3
InChI Key:
VTEALTHRSZSINL-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C=C(CC)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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