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2931-90-0 | 1,3-Benzenedicarboxaldehyde, 4-hydroxy-5-methoxy-
CAS No: 2931-90-0 Catalog No: AG002Y12 MDL No:
Product Description
Catalog Number:
AG002Y12
Chemical Name:
1,3-Benzenedicarboxaldehyde, 4-hydroxy-5-methoxy-
CAS Number:
2931-90-0
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O4/c1-13-8-3-6(4-10)2-7(5-11)9(8)12/h2-5,12H,1H3
InChI Key:
YVNRFQCFZVYDRO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(c(c1)C=O)O
EC Number:
220-901-4
UNII:
F38S6MCP4F
Properties
Complexity:
192
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:
0.8
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