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145576-32-5 | Acetic acid, 2-diazo-, 3-buten-1-yl ester
CAS No: 145576-32-5 Catalog No: AG001D6R MDL No:
Product Description
Catalog Number:
AG001D6R
Chemical Name:
Acetic acid, 2-diazo-, 3-buten-1-yl ester
CAS Number:
145576-32-5
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
but-3-enyl 2-diazoacetate
InChI:
InChI=1S/C6H8N2O2/c1-2-3-4-10-6(9)5-8-7/h2,5H,1,3-4H2
InChI Key:
PVVXJMYBEZOKRM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)OCCC=C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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