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Home > Other Heterocycles > 745809-82-9
745809-82-9 | Phosphonic acid, methyl-, methyl(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester
CAS No: 745809-82-9 Catalog No: AG005W4O MDL No:
Product Description
Catalog Number:
AG005W4O
Chemical Name:
Phosphonic acid, methyl-, methyl(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester
CAS Number:
745809-82-9
Molecular Formula:
C12H22O3P-
Molecular Weight:
245.2750
IUPAC Name:
methyl-[[(1S,2R,4S)-1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphinate
InChI:
InChI=1S/C12H23O3P/c1-10(2)9-6-7-11(10,3)12(4,8-9)15-16(5,13)14/h9H,6-8H2,1-5H3,(H,13,14)/p-1/t9-,11-,12+/m0/s1
InChI Key:
NNCIIEOYKPKRNG-ZMLRMANQSA-M
SMILES:
[O-]P(=O)(O[C@]1(C)C[C@H]2C([C@]1(C)CC2)(C)C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
245.131g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.279g/mol
Monoisotopic Mass:
245.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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