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10507-86-5 | Benzaldehyde,3-ethyl-4-hydroxy-5-(1-methylethyl)-
CAS No: 10507-86-5 Catalog No: AG0085DM MDL No:
Product Description
Catalog Number:
AG0085DM
Chemical Name:
Benzaldehyde,3-ethyl-4-hydroxy-5-(1-methylethyl)-
CAS Number:
10507-86-5
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-ethyl-4-hydroxy-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-4-10-5-9(7-13)6-11(8(2)3)12(10)14/h5-8,14H,4H2,1-3H3
InChI Key:
YBIFTNXBVUSIGK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(CC)c(c(c1)C(C)C)O
EC Number:
234-040-7
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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