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113680-83-4 | 1H-2-Benzopyran-3-ol, 3,4-dihydro-, 3-acetate
CAS No: 113680-83-4 Catalog No: AG0009A1 MDL No:
Product Description
Catalog Number:
AG0009A1
Chemical Name:
1H-2-Benzopyran-3-ol, 3,4-dihydro-, 3-acetate
CAS Number:
113680-83-4
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
acetic acid;3,4-dihydro-1H-isochromen-3-ol
InChI:
InChI=1S/C9H10O2.C2H4O2/c10-9-5-7-3-1-2-4-8(7)6-11-9;1-2(3)4/h1-4,9-10H,5-6H2;1H3,(H,3,4)
InChI Key:
WQTIPSVHRYMFOB-UHFFFAOYSA-N
SMILES:
CC(=O)OC1OCc2c(C1)cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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