CAS
93919-44-9 Purity
96%
93919-44-9 Purity
96%
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2H-1-Benzopyran-2-one,3-hydroxy-
CAS
939-19-5
Catalog Number
ACM939195
Category
Other Products
Molecular Weight
162.14
Molecular Formula
C9H6 O3
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Specification
Synonyms
3-Hydroxycoumarin, 3-Hydroxy-2-benzopyrone, Spectrum_000476, SpecPlus_000860, Spectrum2_000805, Spectrum3_001267, Spectrum4_001576, Spectrum5_000232, 3-Hydroxy-chromen-2-one, 3-hydroxy-2H-chromen-2-one, COUMARIN, 3-HYDROXY-, BSPBio_002834, KBioGR_002132, KBioSS_000956, SPECTRUM211538, DivK1c_006956, SPBio_000669, 642673_ALDRICH, 3-Hydroxy-2H-1-benzopyran-2-one, NSC74691
IUPAC Name
3-hydroxychromen-2-one
Canonical SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)O
InChI Key
MJKVTPMWOKAVMS-UHFFFAOYSA-N
Boiling Point
369.9ºC at 760 mmHg
Melting Point
153-157ºC(lit.)
Flash Point
174.7ºC
Density
1.446 g/cm³
EC Number
213-355-3
Exact Mass
162.03200
Hazard Statements
Xn: Harmful;Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
22-24/25-36-26
WGK Germany
3
What is the molecular formula of 3-hydroxy-1-benzopyran-2-one?
The molecular formula is C9H6O3.
What is the molecular weight of 3-hydroxy-1-benzopyran-2-one?
The molecular weight is 162.14 g/mol.
What are some synonyms for 3-hydroxy-1-benzopyran-2-one?
Some synonyms include 3-Hydroxycoumarin and 3-hydroxychromen-2-one.
What is the InChIKey for 3-hydroxy-1-benzopyran-2-one?
The InChIKey is MJKVTPMWOKAVMS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-hydroxy-1-benzopyran-2-one have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for 3-hydroxy-1-benzopyran-2-one?
The XLogP3-AA value is 1.8.
What is the topological polar surface area of 3-hydroxy-1-benzopyran-2-one?
The topological polar surface area is 46.5 Ų.
How many heavy atoms are present in the structure of 3-hydroxy-1-benzopyran-2-one?
There are 12 heavy atoms.
What is the formal charge of 3-hydroxy-1-benzopyran-2-one?
The formal charge is 0.
What is the complexity value of 3-hydroxy-1-benzopyran-2-one?
The complexity value is 232.
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