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460053-60-5 | Ethanone, 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)- (9CI)
CAS No: 460053-60-5 Catalog No: AG00DKE6 MDL No:MFCD11007991
Product Description
Catalog Number:
AG00DKE6
Chemical Name:
Ethanone, 1-(1H-pyrrolo[3,2-c]pyridin-3-yl)- (9CI)
CAS Number:
460053-60-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11007991
IUPAC Name:
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
InChI:
InChI=1S/C9H8N2O/c1-6(12)7-5-11-9-2-3-10-4-8(7)9/h2-5,11H,1H3
InChI Key:
KMSUSEBNIYINGN-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1cncc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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