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2-Methyl-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde

CAS
933691-82-8
Catalog Number
ACM933691828
Category
Other Products
Molecular Weight
160.172620 [g/mol]
Molecular Formula
C9H8N2O

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Specification

Synonyms
2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde, 933691-82-8, SBB069716, KB-25199, FT-0655646, A844545, S14-1788, 2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carboxaldehyde
IUPAC Name
2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
Canonical SMILES
CC1=C(C2=C(N1)C=NC=C2)C=O
InChI Key
SWSUONHHMXXYNL-UHFFFAOYSA-N
Boiling Point
351.435ºC at 760 mmHg
Flash Point
170.345ºC
Density
1.302g/cm³
Exact Mass
160.06400
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?

The molecular formula of the compound is C9H8N2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 160.17 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-methyl-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde.

What is the InChI key of the compound?

The InChI key of the compound is SWSUONHHMXXYNL-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is CC1=C(C2=C(N1)C=NC=C2)C=O.

What is the CAS number of the compound?

The CAS number of the compound is 933691-82-8.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 45.8 Å^2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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