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13635-04-6 | Butanenitrile, 3-hydroxy-3-methyl-
CAS No: 13635-04-6 Catalog No: AG0011SH MDL No:MFCD00043123
Product Description
Catalog Number:
AG0011SH
Chemical Name:
Butanenitrile, 3-hydroxy-3-methyl-
CAS Number:
13635-04-6
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD00043123
IUPAC Name:
3-hydroxy-3-methylbutanenitrile
InChI:
InChI=1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
InChI Key:
CWPMDJFBWQJRGT-UHFFFAOYSA-N
SMILES:
N#CCC(O)(C)C
Properties
Complexity:
97.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Rice bran fermented with saccharomyces boulardii generates novel metabolite profiles with bioactivity. | Journal of agricultural and food chemistry 20110309 |
| Biological characteristics of foam cell formation in smooth muscle cells derived from bone marrow stem cells. | International journal of biological sciences 20110101 |
| The tomato odorless-2 mutant is defective in trichome-based production of diverse specialized metabolites and broad-spectrum resistance to insect herbivores. | Plant physiology 20100901 |
| Fatty fish intake decreases lipids related to inflammation and insulin signaling--a lipidomics approach. | PloS one 20090101 |
| Red beet (Beta vulgaris L.) leaf supplementation improves antioxidant status in C57BL/6J mice fed high fat high cholesterol diet. | Nutrition research and practice 20090101 |
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