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820215-84-7 | 4-Heptenoic acid, 6-methyl-3-oxo-, ethyl ester, (4E)-
CAS No: 820215-84-7 Catalog No: AG005E4X MDL No:
Product Description
Catalog Number:
AG005E4X
Chemical Name:
4-Heptenoic acid, 6-methyl-3-oxo-, ethyl ester, (4E)-
CAS Number:
820215-84-7
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
ethyl 6-methyl-3-oxohept-4-enoate
InChI:
InChI=1S/C10H16O3/c1-4-13-10(12)7-9(11)6-5-8(2)3/h5-6,8H,4,7H2,1-3H3
InChI Key:
HNYFTVJVFGEEDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)/C=C/C(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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