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800366-91-0 | 3-Buten-2-one, 3-(1H-indol-3-ylmethyl)-
CAS No: 800366-91-0 Catalog No: AG005PGQ MDL No:
Product Description
Catalog Number:
AG005PGQ
Chemical Name:
3-Buten-2-one, 3-(1H-indol-3-ylmethyl)-
CAS Number:
800366-91-0
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
3-(1H-indol-3-ylmethyl)but-3-en-2-one
InChI:
InChI=1S/C13H13NO/c1-9(10(2)15)7-11-8-14-13-6-4-3-5-12(11)13/h3-6,8,14H,1,7H2,2H3
InChI Key:
WBIQLAGLOAPOFE-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C)Cc1c[nH]c2c1cccc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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