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62778-16-9 | Diethyl 2-methylbenzylphosphonate
CAS No: 62778-16-9 Catalog No: AG003BNU MDL No:MFCD00015129
Product Description
Catalog Number:
AG003BNU
Chemical Name:
Diethyl 2-methylbenzylphosphonate
CAS Number:
62778-16-9
Molecular Formula:
C12H19O3P
Molecular Weight:
242.2512
MDL Number:
MFCD00015129
IUPAC Name:
1-(diethoxyphosphorylmethyl)-2-methylbenzene
InChI:
InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChI Key:
SAVIMLRIKAZZCZ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccccc1C)OCC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.255g/mol
Monoisotopic Mass:
242.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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