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25055-86-1 | 3H-Diazirine-3-propanoic acid, 3-methyl-
CAS No: 25055-86-1 Catalog No: AG002QB0 MDL No:MFCD19228230
Product Description
Catalog Number:
AG002QB0
Chemical Name:
3H-Diazirine-3-propanoic acid, 3-methyl-
CAS Number:
25055-86-1
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
MDL Number:
MFCD19228230
IUPAC Name:
3-(3-methyldiazirin-3-yl)propanoic acid
InChI:
InChI=1S/C5H8N2O2/c1-5(6-7-5)3-2-4(8)9/h2-3H2,1H3,(H,8,9)
InChI Key:
DSOGRJSLWCABBW-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1(C)N=N1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.131g/mol
Monoisotopic Mass:
128.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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