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137717-85-2 | Benzoic acid, 2-hydroxy-, dihydroxyethyl ester (9CI)
CAS No: 137717-85-2 Catalog No: AG0013R9 MDL No:
Product Description
Catalog Number:
AG0013R9
Chemical Name:
Benzoic acid, 2-hydroxy-, dihydroxyethyl ester (9CI)
CAS Number:
137717-85-2
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
IUPAC Name:
2,2-dihydroxyethyl 2-hydroxybenzoate
InChI:
InChI=1S/C9H10O5/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4,8,10-12H,5H2
InChI Key:
KBLVEDDQLCHBSV-UHFFFAOYSA-N
SMILES:
OC(COC(=O)c1ccccc1O)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.174g/mol
Monoisotopic Mass:
198.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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