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100507-77-5 | 1-Pentene, 3-(ethoxymethylene)-, (3E)-
CAS No: 100507-77-5 Catalog No: AG000272 MDL No:
Product Description
Catalog Number:
AG000272
Chemical Name:
1-Pentene, 3-(ethoxymethylene)-, (3E)-
CAS Number:
100507-77-5
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
3-(ethoxymethylidene)pent-1-ene
InChI:
InChI=1S/C8H14O/c1-4-8(5-2)7-9-6-3/h4,7H,1,5-6H2,2-3H3
InChI Key:
PAPDCCJJPYTXSB-UHFFFAOYSA-N
SMILES:
CCO/C=C(/C=C)\CC
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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