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22565-65-7 | 1-(but-2-en-1-yl)cyclopropane-1-carbaldehyde
CAS No: 22565-65-7 Catalog No: AG01BTSY MDL No:
Product Description
Catalog Number:
AG01BTSY
Chemical Name:
1-(but-2-en-1-yl)cyclopropane-1-carbaldehyde
CAS Number:
22565-65-7
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
1-but-2-enylcyclopropane-1-carbaldehyde
InChI:
InChI=1S/C8H12O/c1-2-3-4-8(7-9)5-6-8/h2-3,7H,4-6H2,1H3
InChI Key:
TXAZCMXGFVMBNN-UHFFFAOYSA-N
SMILES:
CC=CCC1(C=O)CC1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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