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1463-72-5 | 1H-Indole-2-carboxaldehyde, 3,7-dimethyl-
CAS No: 1463-72-5 Catalog No: AG001DVM MDL No:MFCD08361796
Product Description
Catalog Number:
AG001DVM
Chemical Name:
1H-Indole-2-carboxaldehyde, 3,7-dimethyl-
CAS Number:
1463-72-5
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD08361796
IUPAC Name:
3,7-dimethyl-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C11H11NO/c1-7-4-3-5-9-8(2)10(6-13)12-11(7)9/h3-6,12H,1-2H3
InChI Key:
KFMJRJKKDWLVBF-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(c1C)cccc2C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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