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1137-99-1 | 4-((2-Hydroxyethoxy)carbonyl)benzoic acid
CAS No: 1137-99-1 Catalog No: AG003875 MDL No:
Product Description
Catalog Number:
AG003875
Chemical Name:
4-((2-Hydroxyethoxy)carbonyl)benzoic acid
CAS Number:
1137-99-1
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
IUPAC Name:
4-(2-hydroxyethoxycarbonyl)benzoic acid
InChI:
InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChI Key:
BCBHDSLDGBIFIX-UHFFFAOYSA-N
SMILES:
OCCOC(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
230
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:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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