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12542-32-4 | Butenediol
CAS No: 12542-32-4 Catalog No: AG000NOP MDL No:
Product Description
Catalog Number:
AG000NOP
Chemical Name:
Butenediol
CAS Number:
12542-32-4
Molecular Formula:
C4H8O2
Molecular Weight:
88.1051
IUPAC Name:
but-1-ene-1,1-diol
InChI:
InChI=1S/C4H8O2/c1-2-3-4(5)6/h3,5-6H,2H2,1H3
InChI Key:
CPRDLBPDNZTCSM-UHFFFAOYSA-N
SMILES:
CCC=C(O)O
Properties
Complexity:
52.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
88.052g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
88.106g/mol
Monoisotopic Mass:
88.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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