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1777-33-9

1777-33-9 | 4-Pentenal, 3-methyl-

CAS No: 1777-33-9 Catalog No: AG0025H7 MDL No:MFCD24673747

Product Description

Catalog Number:
AG0025H7
Chemical Name:
4-Pentenal, 3-methyl-
CAS Number:
1777-33-9
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD24673747
IUPAC Name:
3-methylpent-4-enal
InChI:
InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5-6H,1,4H2,2H3
InChI Key:
MWSZRPZREJBOIP-UHFFFAOYSA-N
SMILES:
O=CCC(C=C)C

Properties

Complexity:
66.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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