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820965-63-7 | Formamide, N-[(1S)-1-methyl-2-propynyl]-
CAS No: 820965-63-7 Catalog No: AG005BXT MDL No:
Product Description
Catalog Number:
AG005BXT
Chemical Name:
Formamide, N-[(1S)-1-methyl-2-propynyl]-
CAS Number:
820965-63-7
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
IUPAC Name:
N-[(2S)-but-3-yn-2-yl]formamide
InChI:
InChI=1S/C5H7NO/c1-3-5(2)6-4-7/h1,4-5H,2H3,(H,6,7)/t5-/m0/s1
InChI Key:
RBBGCLGCLSEGBM-YFKPBYRVSA-N
SMILES:
C[C@@H](C#C)NC=O
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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