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212696-86-1 | Benzaldehyde,4-[(1S)-1-hydroxyethyl]-
CAS No: 212696-86-1 Catalog No: AG007OKC MDL No:
Product Description
Catalog Number:
AG007OKC
Chemical Name:
Benzaldehyde,4-[(1S)-1-hydroxyethyl]-
CAS Number:
212696-86-1
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
4-[(1S)-1-hydroxyethyl]benzaldehyde
InChI:
InChI=1S/C9H10O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-7,11H,1H3/t7-/m0/s1
InChI Key:
KPQCYFPPETYXOG-ZETCQYMHSA-N
SMILES:
O=Cc1ccc(cc1)[C@@H](O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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