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827044-05-3 | Formamide, N-[(1S)-1-cyano-3-methylbutyl]-
CAS No: 827044-05-3 Catalog No: AG0059U3 MDL No:
Product Description
Catalog Number:
AG0059U3
Chemical Name:
Formamide, N-[(1S)-1-cyano-3-methylbutyl]-
CAS Number:
827044-05-3
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
N-[(1S)-1-cyano-3-methylbutyl]formamide
InChI:
InChI=1S/C7H12N2O/c1-6(2)3-7(4-8)9-5-10/h5-7H,3H2,1-2H3,(H,9,10)/t7-/m0/s1
InChI Key:
RUEUZQWLVPGTET-ZETCQYMHSA-N
SMILES:
O=CN[C@H](C#N)CC(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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