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6890-30-8 | 1,3-Benzodioxole-5-methanol,a-ethyl-
CAS No: 6890-30-8 Catalog No: AG006FVB MDL No:
Product Description
Catalog Number:
AG006FVB
Chemical Name:
1,3-Benzodioxole-5-methanol,a-ethyl-
CAS Number:
6890-30-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
1-(1,3-benzodioxol-5-yl)propan-1-ol
InChI:
InChI=1S/C10H12O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5,8,11H,2,6H2,1H3
InChI Key:
PXFYAFDHWSXVLU-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)OCO2)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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