Home Aldehydes benzaldehyde, 2-butoxy-

benzaldehyde, 2-butoxy-

CAS No.:
7091-13-6
Catalog Number:
AG005FO7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG005FO7
Chemical Name:
benzaldehyde, 2-butoxy-
CAS Number:
7091-13-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD02257368
IUPAC Name:
2-butoxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9H,2-3,8H2,1H3
InChI Key:
FSMCOBJDZVRWIZ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccccc1C=O
NSC Number:
69087
Properties
Complexity:
145  
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties