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Home > Indoles and Oxindole > 7356-42-5
7356-42-5 | 1H-Indole,2,3-dihydro-2,3-dimethyl-, (2R,3S)-rel-
CAS No: 7356-42-5 Catalog No: AG005YMZ MDL No:
Product Description
Catalog Number:
AG005YMZ
Chemical Name:
1H-Indole,2,3-dihydro-2,3-dimethyl-, (2R,3S)-rel-
CAS Number:
7356-42-5
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
IUPAC Name:
(2S,3R)-2,3-dimethyl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C10H13N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-8,11H,1-2H3/t7-,8-/m0/s1
InChI Key:
NNPSOAOENINXMR-YUMQZZPRSA-N
SMILES:
C[C@H]1[C@H](C)Nc2c1cccc2
NSC Number:
62099
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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