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Home > Aldehydes > 114090-44-7
114090-44-7 | Benzaldehyde, 4-hydroxy-2-methoxy-3,6-dimethyl-
CAS No: 114090-44-7 Catalog No: AG000AJV MDL No:
Product Description
Catalog Number:
AG000AJV
Chemical Name:
Benzaldehyde, 4-hydroxy-2-methoxy-3,6-dimethyl-
CAS Number:
114090-44-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
4-hydroxy-2-methoxy-3,6-dimethylbenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-6-4-9(12)7(2)10(13-3)8(6)5-11/h4-5,12H,1-3H3
InChI Key:
KHHDJKGGBJWOCP-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1OC)C)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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