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1755-44-8 | Pentanal, 2-(phenylmethylene)-
CAS No: 1755-44-8 Catalog No: AG00210U MDL No:
Product Description
Catalog Number:
AG00210U
Chemical Name:
Pentanal, 2-(phenylmethylene)-
CAS Number:
1755-44-8
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
2-benzylidenepentanal
InChI:
InChI=1S/C12H14O/c1-2-6-12(10-13)9-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChI Key:
FMWHWCCEBSGQQV-UHFFFAOYSA-N
SMILES:
CCCC(=Cc1ccccc1)C=O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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