3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID
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3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID
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CAS No:
126739-90-0
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Formula:
C10H7NO4
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Chemical Name:
3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID
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Synonyms:
CHEMPACIFIC 41248;5-CYANOISOPHTHALIC ACID MONOMETHYL ESTER;3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID;5-CYANOISOPHTHALIC ACID MONOMETHYLESTERMONO-METHYL 5-CYANOISOPHTHALATE
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CAS No:
Characteristics
87.4
1.04308
1.39±0.1 g/cm3(Predicted)
226-227 °C
399.0±37.0 °C(Predicted)
195.1ºC
1.577
Computed Properties
Molecular Weight:205.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:205.03750770
Monoisotopic Mass:205.03750770
Topological Polar Surface Area:87.4
Heavy Atom Count:15
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID
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