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136415-83-3 | Benzenepropanal, 3-chloro-
CAS No: 136415-83-3 Catalog No: AG0011V6 MDL No:MFCD07772911
Product Description
Catalog Number:
AG0011V6
Chemical Name:
Benzenepropanal, 3-chloro-
CAS Number:
136415-83-3
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD07772911
IUPAC Name:
3-(3-chlorophenyl)propanal
InChI:
InChI=1S/C9H9ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2
InChI Key:
GAMNINPBAOTMLA-UHFFFAOYSA-N
SMILES:
O=CCCc1cccc(c1)Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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