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18330-27-3 | 4-Pentenoic acid, 2-ethylidene-, methyl ester, (Z)- (8CI,9CI)
CAS No: 18330-27-3 Catalog No: AG0027HE MDL No:
Product Description
Catalog Number:
AG0027HE
Chemical Name:
4-Pentenoic acid, 2-ethylidene-, methyl ester, (Z)- (8CI,9CI)
CAS Number:
18330-27-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl 2-ethylidenepent-4-enoate
InChI:
InChI=1S/C8H12O2/c1-4-6-7(5-2)8(9)10-3/h4-5H,1,6H2,2-3H3
InChI Key:
OLPWKBJSAIOFSI-UHFFFAOYSA-N
SMILES:
C/C=C(\C(=O)OC)/CC=C
Properties
Complexity:
157
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:
1
XLogP3:
2
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