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102-29-4 | 1,3-Benzenediol, 1-acetate
CAS No: 102-29-4 Catalog No: AG00068X MDL No:MFCD00002266
Product Description
Catalog Number:
AG00068X
Chemical Name:
1,3-Benzenediol, 1-acetate
CAS Number:
102-29-4
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD00002266
IUPAC Name:
(3-hydroxyphenyl) acetate
InChI:
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChI Key:
ZZPKZRHERLGEKA-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)O
EC Number:
203-022-0
UNII:
YL6O37RD1S
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Classification of benzoyl peroxide as safe and effective and revision of labeling to drug facts format; topical acne drug products for over-the-counter human use; final rule. | Federal register 20100304 |
| The complete multipartite genome sequence of Cupriavidus necator JMP134, a versatile pollutant degrader. | PloS one 20100101 |
| A two-component hydroxylase involved in the assimilation of 3-hydroxyphenyl acetate in Pseudomonas putida. | The Journal of biological chemistry 20050715 |
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