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106235-07-8 | 1-Penten-3-ol, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (E)-
CAS No: 106235-07-8 Catalog No: AG008426 MDL No:
Product Description
Catalog Number:
AG008426
Chemical Name:
1-Penten-3-ol, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (E)-
CAS Number:
106235-07-8
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pent-1-en-3-ol
InChI:
InChI=1S/C10H17NO2/c1-4-8(12)5-6-9-11-10(2,3)7-13-9/h5-6,8,12H,4,7H2,1-3H3
InChI Key:
BQMRKDQKIHCDGG-UHFFFAOYSA-N
SMILES:
CCC(/C=C/C1=NC(CO1)(C)C)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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