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22304-67-2 | 1,3-Benzenedicarboxaldehyde,4,6-dihydroxy-5-methyl-
CAS No: 22304-67-2 Catalog No: AG007OVV MDL No:MFCD11505923
Product Description
Catalog Number:
AG007OVV
Chemical Name:
1,3-Benzenedicarboxaldehyde,4,6-dihydroxy-5-methyl-
CAS Number:
22304-67-2
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD11505923
IUPAC Name:
4,6-dihydroxy-5-methylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O4/c1-5-8(12)6(3-10)2-7(4-11)9(5)13/h2-4,12-13H,1H3
InChI Key:
PBDGBKWOAPXYHT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)c(c(c1O)C)O
Properties
Complexity:
184
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:
2
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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