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113419-13-9 | Phosphinic isocyanate, methyl-2-propenyl- (9CI)
CAS No: 113419-13-9 Catalog No: AG0008IP MDL No:
Product Description
Catalog Number:
AG0008IP
Chemical Name:
Phosphinic isocyanate, methyl-2-propenyl- (9CI)
CAS Number:
113419-13-9
Molecular Formula:
C5H8NO2P
Molecular Weight:
145.0963
IUPAC Name:
3-[isocyanato(methyl)phosphoryl]prop-1-ene
InChI:
InChI=1S/C5H8NO2P/c1-3-4-9(2,8)6-5-7/h3H,1,4H2,2H3
InChI Key:
TZFSZTLOHRJIPT-UHFFFAOYSA-N
SMILES:
CP(=O)(N=C=O)CC=C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.029g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.098g/mol
Monoisotopic Mass:
145.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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