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105852-70-8 | Cyclohepta[b]pyrrole-5-carboxaldehyde
CAS No: 105852-70-8 Catalog No: AG00850R MDL No:
Product Description
Catalog Number:
AG00850R
Chemical Name:
Cyclohepta[b]pyrrole-5-carboxaldehyde
CAS Number:
105852-70-8
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
cyclohepta[b]pyrrole-5-carbaldehyde
InChI:
InChI=1S/C10H7NO/c12-7-8-2-1-3-10-9(6-8)4-5-11-10/h1-7H
InChI Key:
WFJUDVPBGIJMOZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c(c1)ccn2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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