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82142-76-5 | Oxiranecarboxaldehyde, 3-decyl-, (2S,3S)-
CAS No: 82142-76-5 Catalog No: AG008JPS MDL No:
Product Description
Catalog Number:
AG008JPS
Chemical Name:
Oxiranecarboxaldehyde, 3-decyl-, (2S,3S)-
CAS Number:
82142-76-5
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
(2S,3S)-3-decyloxirane-2-carbaldehyde
InChI:
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-12-13(11-14)15-12/h11-13H,2-10H2,1H3/t12-,13+/m0/s1
InChI Key:
AXRGYGGGKRHXLM-QWHCGFSZSA-N
SMILES:
CCCCCCCCCC[C@@H]1O[C@@H]1C=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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