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89174-55-0 | 2-Propenal, 3-(2-methylpropoxy)-, (E)-
CAS No: 89174-55-0 Catalog No: AG003WAF MDL No:
Product Description
Catalog Number:
AG003WAF
Chemical Name:
2-Propenal, 3-(2-methylpropoxy)-, (E)-
CAS Number:
89174-55-0
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
3-(2-methylpropoxy)prop-2-enal
InChI:
InChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3-5,7H,6H2,1-2H3
InChI Key:
VUQLHNVNMZMSHD-UHFFFAOYSA-N
SMILES:
O=C/C=C/OCC(C)C
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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