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Home Carboxys 1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-, methyl ester

1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-, methyl ester

CAS No.:
22934-58-3
Catalog Number:
AG002LKV
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
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Product Description
Catalog Number:
AG002LKV
Chemical Name:
1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-, methyl ester
CAS Number:
22934-58-3
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD00266634
IUPAC Name:
methyl 7-methoxy-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C10H10O5/c1-12-7-3-6(10(11)13-2)4-8-9(7)15-5-14-8/h3-4H,5H2,1-2H3
InChI Key:
DQQKIGXHWZLSCW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c2c(c1)OCO2
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
[The structures and characteristic infrared spectra of beta-DDB and its derivatives]. Guang pu xue yu guang pu fen xi = Guang pu 20010401
Properties