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619-12-5 | 4-Formyl-3-hydroxybenzoic acid
CAS No: 619-12-5 Catalog No: AG003LGF MDL No:MFCD05865188
Product Description
Catalog Number:
AG003LGF
Chemical Name:
4-Formyl-3-hydroxybenzoic acid
CAS Number:
619-12-5
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD05865188
IUPAC Name:
4-formyl-3-hydroxybenzoic acid
InChI:
InChI=1S/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12)
InChI Key:
FDDHFCWYCKQKGY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1O)C(=O)O
NSC Number:
249767
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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