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872-77-5 | 2-Butenal, 3-cyclopropyl-
CAS No: 872-77-5 Catalog No: AG004PG0 MDL No:
Product Description
Catalog Number:
AG004PG0
Chemical Name:
2-Butenal, 3-cyclopropyl-
CAS Number:
872-77-5
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
3-cyclopropylbut-2-enal
InChI:
InChI=1S/C7H10O/c1-6(4-5-8)7-2-3-7/h4-5,7H,2-3H2,1H3
InChI Key:
DNIDVQZACMZNDX-UHFFFAOYSA-N
SMILES:
O=CC=C(C1CC1)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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