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86777-87-9 | 3-Butene-1,2-diol, 2-methyl-, (2S)-
CAS No: 86777-87-9 Catalog No: AG004JIH MDL No:
Product Description
Catalog Number:
AG004JIH
Chemical Name:
3-Butene-1,2-diol, 2-methyl-, (2S)-
CAS Number:
86777-87-9
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
IUPAC Name:
(2S)-2-methylbut-3-ene-1,2-diol
InChI:
InChI=1S/C5H10O2/c1-3-5(2,7)4-6/h3,6-7H,1,4H2,2H3/t5-/m0/s1
InChI Key:
XZRGYMKUQMPDQH-YFKPBYRVSA-N
SMILES:
C[C@](C=C)(CO)O
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
102.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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