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141090-98-4 | 2-Cyclohexen-1-ol, 3-(1,3-benzodioxol-5-yl)-
CAS No: 141090-98-4 Catalog No: AG001FW1 MDL No:
Product Description
Catalog Number:
AG001FW1
Chemical Name:
2-Cyclohexen-1-ol, 3-(1,3-benzodioxol-5-yl)-
CAS Number:
141090-98-4
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
3-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
InChI:
InChI=1S/C13H14O3/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h4-7,11,14H,1-3,8H2
InChI Key:
ZQIXKQWONILWJO-UHFFFAOYSA-N
SMILES:
OC1CCCC(=C1)c1ccc2c(c1)OCO2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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