2-(Chroman-4-yl)acetic Acid - CAS 5655-26-5
Catalog: |
BB029401 |
Product Name: |
2-(Chroman-4-yl)acetic Acid |
CAS: |
5655-26-5 |
Synonyms: |
2-(3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid; 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid |
IUPAC Name: | 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid |
Description: | 2-(Chroman-4-yl)acetic Acid (CAS# 5655-26-5) is a useful research chemical. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | C1COC2=CC=CC=C2C1CC(=O)O |
InChI: | InChI=1S/C11H12O3/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,12,13) |
InChI Key: | BEALYTAVZUJEOO-UHFFFAOYSA-N |
MDL: | MFCD11172888 |
LogP: | 2.02740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111683926-A | Compound (I) | 20180126 |
KR-20200116918-A | compound | 20180126 |
US-2020361871-A1 | Compounds | 20180126 |
US-2020383988-A1 | Compounds | 20180126 |
BR-112020015169-A2 | compounds | 20180126 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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