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138796-18-6 | Butane, 1-isocyano-2-methoxy-2-methyl-
CAS No: 138796-18-6 Catalog No: AG0019KZ MDL No:
Product Description
Catalog Number:
AG0019KZ
Chemical Name:
Butane, 1-isocyano-2-methoxy-2-methyl-
CAS Number:
138796-18-6
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
1-isocyano-2-methoxy-2-methylbutane
InChI:
InChI=1S/C7H13NO/c1-5-7(2,9-4)6-8-3/h5-6H2,1-2,4H3
InChI Key:
WHPVORVKZGBDKD-UHFFFAOYSA-N
SMILES:
[C-]#[N+]CC(OC)(CC)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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