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28158-57-8 | 2-hydroxycyclohepta-2,4,6-trien-1-one- formaldehyde(1:1)
CAS No: 28158-57-8 Catalog No: AG007L8D MDL No:
Product Description
Catalog Number:
AG007L8D
Chemical Name:
2-hydroxycyclohepta-2,4,6-trien-1-one- formaldehyde(1:1)
CAS Number:
28158-57-8
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
formaldehyde;2-hydroxycyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C7H6O2.CH2O/c8-6-4-2-1-3-5-7(6)9;1-2/h1-5H,(H,8,9);1H2
InChI Key:
ZQKARDTYSXTFTQ-UHFFFAOYSA-N
SMILES:
Oc1cccccc1=O.O=C
NSC Number:
98693
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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