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61345-73-1 | 3-hydroxy-5-(propan-2-yl)benzaldehyde
CAS No: 61345-73-1 Catalog No: AG01ABPM MDL No:MFCD16997117
Product Description
Catalog Number:
AG01ABPM
Chemical Name:
3-hydroxy-5-(propan-2-yl)benzaldehyde
CAS Number:
61345-73-1
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD16997117
IUPAC Name:
3-hydroxy-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H12O2/c1-7(2)9-3-8(6-11)4-10(12)5-9/h3-7,12H,1-2H3
InChI Key:
YZNLDOWUUMQMTN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)cc(c1)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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