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24589-98-8 | Benzoic acid, 4-formyl-3-hydroxy-, methyl ester
CAS No: 24589-98-8 Catalog No: AG002OO9 MDL No:
Product Description
Catalog Number:
AG002OO9
Chemical Name:
Benzoic acid, 4-formyl-3-hydroxy-, methyl ester
CAS Number:
24589-98-8
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
methyl 4-formyl-3-hydroxybenzoate
InChI:
InChI=1S/C9H8O4/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-5,11H,1H3
InChI Key:
OMCTZIDLDSYPOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)O)C=O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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