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17581-86-1 | 2-Propen-1-ol, 3-(1,3-benzodioxol-5-yl)-
CAS No: 17581-86-1 Catalog No: AG00218E MDL No:
Product Description
Catalog Number:
AG00218E
Chemical Name:
2-Propen-1-ol, 3-(1,3-benzodioxol-5-yl)-
CAS Number:
17581-86-1
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
InChI:
InChI=1S/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-4,6,11H,5,7H2
InChI Key:
JQZASRHQYJJUCE-UHFFFAOYSA-N
SMILES:
OCC=Cc1ccc2c(c1)OCO2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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