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Home > Other Building Blocks > 130795-90-3
130795-90-3 | 4-Pentene-1,3-diol, (3S)-
CAS No: 130795-90-3 Catalog No: AG000UY9 MDL No:
Product Description
Catalog Number:
AG000UY9
Chemical Name:
4-Pentene-1,3-diol, (3S)-
CAS Number:
130795-90-3
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
IUPAC Name:
pent-4-ene-1,3-diol
InChI:
InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h2,5-7H,1,3-4H2
InChI Key:
XOHPJWXAFXEPJQ-UHFFFAOYSA-N
SMILES:
O[C@H](C=C)CCO
Properties
Complexity:
52
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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