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1194-98-5 | Benzaldehyde, 2,5-dihydroxy-
CAS No: 1194-98-5 Catalog No: AG000IP8 MDL No:MFCD00003333
Product Description
Catalog Number:
AG000IP8
Chemical Name:
Benzaldehyde, 2,5-dihydroxy-
CAS Number:
1194-98-5
Molecular Formula:
C7H6O3
Molecular Weight:
138.1207
MDL Number:
MFCD00003333
IUPAC Name:
2,5-dihydroxybenzaldehyde
InChI:
InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
InChI Key:
CLFRCXCBWIQVRN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)ccc1O
EC Number:
214-789-6
UNII:
0Q83HDS90W
NSC Number:
72387
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.122g/mol
Monoisotopic Mass:
138.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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