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189813-95-4 | 1,3-Benzodioxole-5-propanol, 6-amino-
CAS No: 189813-95-4 Catalog No: AG002DZF MDL No:
Product Description
Catalog Number:
AG002DZF
Chemical Name:
1,3-Benzodioxole-5-propanol, 6-amino-
CAS Number:
189813-95-4
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
3-(6-amino-1,3-benzodioxol-5-yl)propan-1-ol
InChI:
InChI=1S/C10H13NO3/c11-8-5-10-9(13-6-14-10)4-7(8)2-1-3-12/h4-5,12H,1-3,6,11H2
InChI Key:
CXAQTSLSWPNTTN-UHFFFAOYSA-N
SMILES:
Nc1cc2OCOc2cc1CCCO
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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