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13159-39-2 | Propanal, 3-butoxy-
CAS No: 13159-39-2 Catalog No: AG000ZGX MDL No:
Product Description
Catalog Number:
AG000ZGX
Chemical Name:
Propanal, 3-butoxy-
CAS Number:
13159-39-2
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
3-butoxypropanal
InChI:
InChI=1S/C7H14O2/c1-2-3-6-9-7-4-5-8/h5H,2-4,6-7H2,1H3
InChI Key:
UVWYDUVLXHQPSQ-UHFFFAOYSA-N
SMILES:
CCCCOCCC=O
Properties
Complexity:
61.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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