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201593-80-8 | Benzoic acid, 2-(acetyloxy)-5-(hydroxymethyl)-
CAS No: 201593-80-8 Catalog No: AG002DHR MDL No:
Product Description
Catalog Number:
AG002DHR
Chemical Name:
Benzoic acid, 2-(acetyloxy)-5-(hydroxymethyl)-
CAS Number:
201593-80-8
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
IUPAC Name:
2-acetyloxy-5-(hydroxymethyl)benzoic acid
InChI:
InChI=1S/C10H10O5/c1-6(12)15-9-3-2-7(5-11)4-8(9)10(13)14/h2-4,11H,5H2,1H3,(H,13,14)
InChI Key:
USYNNOOUZJVHHX-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)C(=O)O)OC(=O)C
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:
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:
0.3
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