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14655-62-0 | Acetic acid, 2-(butylphenylphosphinyl)-
CAS No: 14655-62-0 Catalog No: AG001E4I MDL No:
Product Description
Catalog Number:
AG001E4I
Chemical Name:
Acetic acid, 2-(butylphenylphosphinyl)-
CAS Number:
14655-62-0
Molecular Formula:
C12H17O3P
Molecular Weight:
240.2353
IUPAC Name:
2-[butyl(phenyl)phosphoryl]acetic acid
InChI:
InChI=1S/C12H17O3P/c1-2-3-9-16(15,10-12(13)14)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
InChI Key:
CGCYVTZFMYCPTI-UHFFFAOYSA-N
SMILES:
CCCCP(=O)(c1ccccc1)CC(=O)O
NSC Number:
193783
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.239g/mol
Monoisotopic Mass:
240.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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