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22582-69-0 | 4-(1H-INDOL-3-YL)-BUTAN-2-OL
CAS No: 22582-69-0 Catalog No: AG01BT13 MDL No:MFCD20492188
Product Description
Catalog Number:
AG01BT13
Chemical Name:
4-(1H-INDOL-3-YL)-BUTAN-2-OL
CAS Number:
22582-69-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD20492188
IUPAC Name:
4-(1H-indol-3-yl)butan-2-ol
InChI:
InChI=1S/C12H15NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3
InChI Key:
RWLPLBXGOXBTLR-UHFFFAOYSA-N
SMILES:
CC(CCc1c[nH]c2c1cccc2)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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