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Home > Aldehydes > 114762-39-9
114762-39-9 | 2-Oxiranecarboxaldehyde, 3-methyl-3-(4-methyl-3-penten-1-yl)-, (2R,3S)-
CAS No: 114762-39-9 Catalog No: AG000F6E MDL No:
Product Description
Catalog Number:
AG000F6E
Chemical Name:
2-Oxiranecarboxaldehyde, 3-methyl-3-(4-methyl-3-penten-1-yl)-, (2R,3S)-
CAS Number:
114762-39-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde
InChI:
InChI=1S/C10H16O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,7,9H,4,6H2,1-3H3
InChI Key:
KXDDDNKGVUBFQS-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1O[C@@]1(C)CCC=C(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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