Home Other Building Blocks benzo-1,3-dioxol-5-ol acetate

benzo-1,3-dioxol-5-ol acetate

CAS No.:
326-58-9
Catalog Number:
AG00CPKK
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
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Product Description
Catalog Number:
AG00CPKK
Chemical Name:
benzo-1,3-dioxol-5-ol acetate
CAS Number:
326-58-9
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00016623
IUPAC Name:
1,3-benzodioxol-5-yl acetate
InChI:
InChI=1S/C9H8O4/c1-6(10)13-7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
InChI Key:
QNJMUNKUQDDPCI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)OCO2
EC Number:
206-310-4
NSC Number:
21741
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties