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114142-13-1 | Pentanal, 4-(phenylmethoxy)-
CAS No: 114142-13-1 Catalog No: AG000ANT MDL No:
Product Description
Catalog Number:
AG000ANT
Chemical Name:
Pentanal, 4-(phenylmethoxy)-
CAS Number:
114142-13-1
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-phenylmethoxypentanal
InChI:
InChI=1S/C12H16O2/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3
InChI Key:
NZQZEYKPLUFQLF-UHFFFAOYSA-N
SMILES:
O=CCCC(OCc1ccccc1)C
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:
1.8
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