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203626-61-3 | 1,3-Benzenedicarboxylic acid, 5-ethoxy-
CAS No: 203626-61-3 Catalog No: AG00291J MDL No:
Product Description
Catalog Number:
AG00291J
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-ethoxy-
CAS Number:
203626-61-3
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
IUPAC Name:
5-ethoxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C10H10O5/c1-2-15-8-4-6(9(11)12)3-7(5-8)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChI Key:
WQONHTZYNXJZIC-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
228
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:
2
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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