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157922-30-0 | Propanoic acid, 3-diazo-2-oxo-, butyl ester
CAS No: 157922-30-0 Catalog No: AG001PTV MDL No:
Product Description
Catalog Number:
AG001PTV
Chemical Name:
Propanoic acid, 3-diazo-2-oxo-, butyl ester
CAS Number:
157922-30-0
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
IUPAC Name:
butyl 3-diazo-2-oxopropanoate
InChI:
InChI=1S/C7H10N2O3/c1-2-3-4-12-7(11)6(10)5-9-8/h5H,2-4H2,1H3
InChI Key:
VVDJFWRVBYNUSY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)C(=O)OCCCC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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