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Home > Aldehydes > 276862-85-2
276862-85-2 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)
CAS No: 276862-85-2 Catalog No: AG002UFI MDL No:MFCD11877845
Product Description
Catalog Number:
AG002UFI
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI)
CAS Number:
276862-85-2
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD11877845
IUPAC Name:
1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H6N2O/c11-5-6-4-10-7-2-1-3-9-8(6)7/h1-5,10H
InChI Key:
JDIWXZAFVHTGBQ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1nccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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