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130312-01-5 | Acetic acid, 2-(tetrahydro-4H-pyran-4-ylidene)-
CAS No: 130312-01-5 Catalog No: AG000UA8 MDL No:MFCD04114347
Product Description
Catalog Number:
AG000UA8
Chemical Name:
Acetic acid, 2-(tetrahydro-4H-pyran-4-ylidene)-
CAS Number:
130312-01-5
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD04114347
IUPAC Name:
2-(oxan-4-ylidene)acetic acid
InChI:
InChI=1S/C7H10O3/c8-7(9)5-6-1-3-10-4-2-6/h5H,1-4H2,(H,8,9)
InChI Key:
SSVVDDQZKYQWJI-UHFFFAOYSA-N
SMILES:
OC(=O)C=C1CCOCC1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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