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3-isothiocyanato-7-methoxy-4-methylchromen-2-one

3-isothiocyanato-7-methoxy-4-methylchromen-2-one structure

CAS No:
501080-02-0
Formula:
C12H9NO3S
Chemical Name:
3-isothiocyanato-7-methoxy-4-methylchromen-2-one
Synonyms:
NSC299885;3-isothiocyanato-7-methoxy-4-methyl-benzopyran-2-one;ZINC1872064;NSC-299885;501080-02-0;3-Isothiocyanato-4-methyl-7-methoxy-2H-1-benzopyran-2-one

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3-isothiocyanato-7-methoxy-4-methylchromen-2-one Basic Attributes

Molecular Weight：

247.27 g/mol

Exact Mass：

247.03031432 g/mol

NSC Number：

299885

Characteristics

PSA：

80 Å²

XLogP3：

2.8443

Melting Point：

165 - 168 °C

Computed Properties

Molecular Weight:247.27
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:247.03031432
Monoisotopic Mass:247.03031432
Topological Polar Surface Area:80
Heavy Atom Count:17
Complexity:412
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-isothiocyanato-7-methoxy-4-methylchromen-2-one

Basic Attributes
Characteristics
Computed Properties

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