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89279-56-1 | Butanal, 2-[(phenylmethoxy)methyl]-
CAS No: 89279-56-1 Catalog No: AG0040ZY MDL No:
Product Description
Catalog Number:
AG0040ZY
Chemical Name:
Butanal, 2-[(phenylmethoxy)methyl]-
CAS Number:
89279-56-1
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-(phenylmethoxymethyl)butanal
InChI:
InChI=1S/C12H16O2/c1-2-11(8-13)9-14-10-12-6-4-3-5-7-12/h3-8,11H,2,9-10H2,1H3
InChI Key:
QZFQZBZUPLANKF-UHFFFAOYSA-N
SMILES:
CCC(COCc1ccccc1)C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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