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80463-21-4 | Benzaldehyde,4-(1-hydroxyethyl)-
CAS No: 80463-21-4 Catalog No: AG005KYE MDL No:MFCD18824432
Product Description
Catalog Number:
AG005KYE
Chemical Name:
Benzaldehyde,4-(1-hydroxyethyl)-
CAS Number:
80463-21-4
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD18824432
IUPAC Name:
4-(1-hydroxyethyl)benzaldehyde
InChI:
InChI=1S/C9H10O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-7,11H,1H3
InChI Key:
KPQCYFPPETYXOG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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