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400748-10-9 | 4-(5-METHYL-2-FURYL)BENZALDEHYDE
CAS No: 400748-10-9 Catalog No: AG0075TZ MDL No:MFCD04039125
Product Description
Catalog Number:
AG0075TZ
Chemical Name:
4-(5-METHYL-2-FURYL)BENZALDEHYDE
CAS Number:
400748-10-9
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
MDL Number:
MFCD04039125
IUPAC Name:
4-(5-methylfuran-2-yl)benzaldehyde
InChI:
InChI=1S/C12H10O2/c1-9-2-7-12(14-9)11-5-3-10(8-13)4-6-11/h2-8H,1H3
InChI Key:
XVPPZRZUEUFYSM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(o1)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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