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127758-25-2 | D-erythro-Pent-1-enitol, 1,2-dideoxy-3,4-O-(1-methylethylidene)-
CAS No: 127758-25-2 Catalog No: AG000XDJ MDL No:MFCD09030055
Product Description
Catalog Number:
AG000XDJ
Chemical Name:
D-erythro-Pent-1-enitol, 1,2-dideoxy-3,4-O-(1-methylethylidene)-
CAS Number:
127758-25-2
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD09030055
IUPAC Name:
[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
InChI:
InChI=1S/C8H14O3/c1-4-6-7(5-9)11-8(2,3)10-6/h4,6-7,9H,1,5H2,2-3H3/t6-,7+/m0/s1
InChI Key:
GXJPMBQLUDQIAV-NKWVEPMBSA-N
SMILES:
OC[C@H]1OC(O[C@H]1C=C)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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