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114416-20-5 | Benzoic acid, 4-[[(dipropoxyphosphinyl)methyl]amino]-, ethyl ester
CAS No: 114416-20-5 Catalog No: AG000BAI MDL No:
Product Description
Catalog Number:
AG000BAI
Chemical Name:
Benzoic acid, 4-[[(dipropoxyphosphinyl)methyl]amino]-, ethyl ester
CAS Number:
114416-20-5
Molecular Formula:
C16H26NO5P
Molecular Weight:
343.3551
IUPAC Name:
ethyl 4-(dipropoxyphosphorylmethylamino)benzoate
InChI:
InChI=1S/C16H26NO5P/c1-4-11-21-23(19,22-12-5-2)13-17-15-9-7-14(8-10-15)16(18)20-6-3/h7-10,17H,4-6,11-13H2,1-3H3
InChI Key:
XCZPKXSAYJHEMB-UHFFFAOYSA-N
SMILES:
CCCOP(=O)(CNc1ccc(cc1)C(=O)OCC)OCCC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.155g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.36g/mol
Monoisotopic Mass:
343.155g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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