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18982-18-8 | Benzoic acid, 4-hydroxy-, 2-propen-1-yl ester
CAS No: 18982-18-8 Catalog No: AG002E0S MDL No:
Product Description
Catalog Number:
AG002E0S
Chemical Name:
Benzoic acid, 4-hydroxy-, 2-propen-1-yl ester
CAS Number:
18982-18-8
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
prop-2-enyl 4-hydroxybenzoate
InChI:
InChI=1S/C10H10O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6,11H,1,7H2
InChI Key:
NVNSVQJVBIWZNM-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1ccc(cc1)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Allyl 4-hydroxy-phenyl carbonate. | Acta crystallographica. Section E, Structure reports online 20090701 |
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