Methyl 1-Oxo-1,2-dihydroisoquinoline-3-carboxylate - CAS 69454-42-8
Catalog: |
BB072761 |
Product Name: |
Methyl 1-Oxo-1,2-dihydroisoquinoline-3-carboxylate |
CAS: |
69454-42-8 |
Synonyms: |
methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate; methyl 1-oxo-2H-isoquinoline-3-carboxylate |
IUPAC Name: | methyl 1-oxo-2H-isoquinoline-3-carboxylate |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=CC2=CC=CC=C2C(=O)N1 |
InChI: | InChI=1S/C11H9NO3/c1-15-11(14)9-6-7-4-2-3-5-8(7)10(13)12-9/h2-6H,1H3,(H,12,13) |
InChI Key: | DPYAPCOWWDVERX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS