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128495-75-0 | Butanal, 3,3-dimethyl-2-(phenylmethoxy)-
CAS No: 128495-75-0 Catalog No: AG000Y4M MDL No:
Product Description
Catalog Number:
AG000Y4M
Chemical Name:
Butanal, 3,3-dimethyl-2-(phenylmethoxy)-
CAS Number:
128495-75-0
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3,3-dimethyl-2-phenylmethoxybutanal
InChI:
InChI=1S/C13H18O2/c1-13(2,3)12(9-14)15-10-11-7-5-4-6-8-11/h4-9,12H,10H2,1-3H3
InChI Key:
PVSGJYHGHOWMMG-UHFFFAOYSA-N
SMILES:
O=CC(C(C)(C)C)OCc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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