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584-87-2 | 3-Formyl-4-hydroxybenzoic acid
CAS No: 584-87-2 Catalog No: AG003JHY MDL No:MFCD00016595
Product Description
Catalog Number:
AG003JHY
Chemical Name:
3-Formyl-4-hydroxybenzoic acid
CAS Number:
584-87-2
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD00016595
IUPAC Name:
3-formyl-4-hydroxybenzoic acid
InChI:
InChI=1S/C8H6O4/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-4,10H,(H,11,12)
InChI Key:
NXZBZWZORYEIJL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1O)C(=O)O
NSC Number:
115705
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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