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122087-39-2 | Butanenitrile, 2-hydroxy-2,3,3-trimethyl-, (2R)-
CAS No: 122087-39-2 Catalog No: AG0016QQ MDL No:
Product Description
Catalog Number:
AG0016QQ
Chemical Name:
Butanenitrile, 2-hydroxy-2,3,3-trimethyl-, (2R)-
CAS Number:
122087-39-2
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
2-hydroxy-2,3,3-trimethylbutanenitrile
InChI:
InChI=1S/C7H13NO/c1-6(2,3)7(4,9)5-8/h9H,1-4H3
InChI Key:
PHRSLUPJKDVWPF-UHFFFAOYSA-N
SMILES:
N#C[C@@](C(C)(C)C)(O)C
Properties
Complexity:
148
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:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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