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91060-93-4 | BENZALDEHYDE, 3-HYDROXY-4-(1-METHYLETHYL)-
CAS No: 91060-93-4 Catalog No: AG006F0K MDL No:
Product Description
Catalog Number:
AG006F0K
Chemical Name:
BENZALDEHYDE, 3-HYDROXY-4-(1-METHYLETHYL)-
CAS Number:
91060-93-4
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
3-hydroxy-4-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H12O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-7,12H,1-2H3
InChI Key:
AAHPQRUIQYEFLD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)O)C(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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