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114289-85-9 | 2-Propene-1,2-diol, 3-(1,3-benzodioxol-5-yl)-
CAS No: 114289-85-9 Catalog No: AG000AZH MDL No:
Product Description
Catalog Number:
AG000AZH
Chemical Name:
2-Propene-1,2-diol, 3-(1,3-benzodioxol-5-yl)-
CAS Number:
114289-85-9
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
3-(1,3-benzodioxol-5-yl)prop-2-ene-1,2-diol
InChI:
InChI=1S/C10H10O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-4,11-12H,5-6H2
InChI Key:
OXZQKGDOZMVISJ-UHFFFAOYSA-N
SMILES:
OCC(=Cc1ccc2c(c1)OCO2)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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