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71590-08-4 | 3-Methoxy-5-(methoxycarbonyl);benzoic acid
CAS No: 71590-08-4 Catalog No: AG005GEF MDL No:MFCD03840746
Product Description
Catalog Number:
AG005GEF
Chemical Name:
3-Methoxy-5-(methoxycarbonyl);benzoic acid
CAS Number:
71590-08-4
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD03840746
IUPAC Name:
3-methoxy-5-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C10H10O5/c1-14-8-4-6(9(11)12)3-7(5-8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
PMYOJVWSJTZGDJ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)C(=O)OC
Properties
Complexity:
250
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:
1
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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