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81121-62-2 | Benzaldehyde,4-(3-hydroxypropyl)-
CAS No: 81121-62-2 Catalog No: AG005619 MDL No:
Product Description
Catalog Number:
AG005619
Chemical Name:
Benzaldehyde,4-(3-hydroxypropyl)-
CAS Number:
81121-62-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
4-(3-hydroxypropyl)benzaldehyde
InChI:
InChI=1S/C10H12O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,8,11H,1-2,7H2
InChI Key:
YDGXOVRNIKDKFX-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)C=O
Properties
Complexity:
126
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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