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10537-41-4 | Benzaldehyde,4-hydroxy-3-methyl-5-(1-methylethyl)-
CAS No: 10537-41-4 Catalog No: AG00852F MDL No:
Product Description
Catalog Number:
AG00852F
Chemical Name:
Benzaldehyde,4-hydroxy-3-methyl-5-(1-methylethyl)-
CAS Number:
10537-41-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4-hydroxy-3-methyl-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-7(2)10-5-9(6-12)4-8(3)11(10)13/h4-7,13H,1-3H3
InChI Key:
MZGYHGQVVFEMIG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C(C)C)c(c(c1)C)O
EC Number:
234-109-1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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