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72508-66-8 | Phosphonic acid, (3-methyl-1,2,4-pentatrienyl)-, bis(1-methylethyl) ester
CAS No: 72508-66-8 Catalog No: AG005GX1 MDL No:
Product Description
Catalog Number:
AG005GX1
Chemical Name:
Phosphonic acid, (3-methyl-1,2,4-pentatrienyl)-, bis(1-methylethyl) ester
CAS Number:
72508-66-8
Molecular Formula:
C12H21O3P
Molecular Weight:
244.2671
IUPAC Name:
1-di(propan-2-yloxy)phosphoryl-3-methylpenta-1,2,4-triene
InChI:
InChI=1S/C12H21O3P/c1-7-12(6)8-9-16(13,14-10(2)3)15-11(4)5/h7,9-11H,1H2,2-6H3
InChI Key:
AAPKXCBZLXDDEK-UHFFFAOYSA-N
SMILES:
C=CC(=C=CP(=O)(OC(C)C)OC(C)C)C
Properties
Complexity:
322
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.271g/mol
Monoisotopic Mass:
244.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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