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67372-96-7 | Benzaldehyde, 2-hydroxy-3-(1-methylethyl)-
CAS No: 67372-96-7 Catalog No: AG006HRR MDL No:MFCD11040457
Product Description
Catalog Number:
AG006HRR
Chemical Name:
Benzaldehyde, 2-hydroxy-3-(1-methylethyl)-
CAS Number:
67372-96-7
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD11040457
IUPAC Name:
2-hydroxy-3-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H12O2/c1-7(2)9-5-3-4-8(6-11)10(9)12/h3-7,12H,1-2H3
InChI Key:
ORJQGHNTYRXBJF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1O)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:
2.7
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