4-Methoxy-3-nitrophenylacetic Acid - CAS 63304-80-3
Catalog: |
BB032094 |
Product Name: |
4-Methoxy-3-nitrophenylacetic Acid |
CAS: |
63304-80-3 |
Synonyms: |
2-(4-methoxy-3-nitrophenyl)acetic acid; 2-(4-methoxy-3-nitrophenyl)acetic acid |
IUPAC Name: | 2-(4-methoxy-3-nitrophenyl)acetic acid |
Description: | 4-Methoxy-3-nitrophenylacetic Acid (CAS# 63304-80-3) is used in the preparation of penicillins. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H9NO5 |
Canonical SMILES: | COC1=C(C=C(C=C1)CC(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO5/c1-15-8-3-2-6(5-9(11)12)4-7(8)10(13)14/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | GYXAPUUDUHBTSB-UHFFFAOYSA-N |
Boiling Point: | 421.6 ℃ at 760 mmHg |
Density: | 1.382 g/cm3 |
LogP: | 1.75370 |
Publication Number | Title | Priority Date |
CN-111138370-A | Naphthalene ring-aminopyrimidine compound and preparation method and application thereof | 20200210 |
CN-111205236-A | Naphthalene ring-isoxazole type compound and preparation method and application thereof | 20200210 |
CN-111138370-B | Naphthalene ring-aminopyrimidine compound and preparation method and application thereof | 20200210 |
EP-3763711-A1 | Tetrahydroisoquinoline compounds | 20190709 |
WO-2021005165-A1 | Tetrahydroisoquinoline compounds | 20190709 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.04807239 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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