Indole-7-carboxaldehyde - CAS 1074-88-0
Catalog: |
BB002086 |
Product Name: |
Indole-7-carboxaldehyde |
CAS: |
1074-88-0 |
Synonyms: |
1H-indole-7-carbaldehyde |
IUPAC Name: | 1H-indole-7-carbaldehyde |
Description: | Indole-7-carboxaldehyde (CAS# 1074-88-0) is a compound useful in organic synthesis. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC2=C(C(=C1)C=O)NC=C2 |
InChI: | InChI=1S/C9H7NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-6,10H |
InChI Key: | XQVZDADGTFJAFM-UHFFFAOYSA-N |
Boiling Point: | 339.1 ℃ at 760 mmHg |
Melting Point: | 87-91 ℃ |
Purity: | 98 % |
Density: | 1.278 g/cm3 |
Appearance: | Yellow crystalline solid |
Storage: | Keep Cold |
MDL: | MFCD01318152 |
LogP: | 1.98040 |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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