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81065-84-1 | 2-(1,2-dihydroxyethyl)benzoic acid
CAS No: 81065-84-1 Catalog No: AG005HI8 MDL No:
Product Description
Catalog Number:
AG005HI8
Chemical Name:
2-(1,2-dihydroxyethyl)benzoic acid
CAS Number:
81065-84-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
2-(1,2-dihydroxyethyl)benzoic acid
InChI:
InChI=1S/C9H10O4/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChI Key:
GRJQTPXSCICXLM-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1C(=O)O)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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