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86004-45-7 | diprop-2-en-1-yl 2-(dibutoxyphosphoryl)butanedioate
CAS No: 86004-45-7 Catalog No: AG004V3S MDL No:
Product Description
Catalog Number:
AG004V3S
Chemical Name:
diprop-2-en-1-yl 2-(dibutoxyphosphoryl)butanedioate
CAS Number:
86004-45-7
Molecular Formula:
C18H31O7P
Molecular Weight:
390.4083
IUPAC Name:
bis(prop-2-enyl) 2-dibutoxyphosphorylbutanedioate
InChI:
InChI=1S/C18H31O7P/c1-5-9-13-24-26(21,25-14-10-6-2)16(18(20)23-12-8-4)15-17(19)22-11-7-3/h7-8,16H,3-6,9-15H2,1-2H3
InChI Key:
NYGLFNJRABHOAE-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(P(=O)(OCCCC)OCCCC)CC(=O)OCC=C
NSC Number:
19162
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.181g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.413g/mol
Monoisotopic Mass:
390.181g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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