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34841-08-2 | Benzaldehyde, 3,4-dipropoxy-
CAS No: 34841-08-2 Catalog No: AG007H7C MDL No:
Product Description
Catalog Number:
AG007H7C
Chemical Name:
Benzaldehyde, 3,4-dipropoxy-
CAS Number:
34841-08-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
3,4-dipropoxybenzaldehyde
InChI:
InChI=1S/C13H18O3/c1-3-7-15-12-6-5-11(10-14)9-13(12)16-8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChI Key:
IOKYUTCABAXWAK-UHFFFAOYSA-N
SMILES:
CCCOc1cc(C=O)ccc1OCCC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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