3-Cyclohexene-1-carboxylic acid, methyl ester
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3-Cyclohexene-1-carboxylic acid, methyl ester
structure -
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CAS No:
6493-77-2
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Formula:
C8H12O2
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Chemical Name:
3-Cyclohexene-1-carboxylic acid, methyl ester
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Synonyms:
3-Cyclohexene-1-carboxylic acid,methyl ester;Methyl 4-cyclohexenecarboxylate;Methyl 3-cyclohexene-1-carboxylate;1-Carbomethoxy-3-cyclohexene;Methyl 3-cyclohexenecarboxylate;Methyl 1,2,3,6-tetrahydrobenzoate;4-(Methoxycarbonyl)cyclohexene;1-(Methoxycarbonyl)cyclohex-3-ene;NSC 93912;49543-03-5
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CAS No:
3-Cyclohexene-1-carboxylic acid, methyl ester Basic Attributes
140.180
140.18
229-376-6
93912
2916209090
Safety Information
3272
36/37/38
S26-S36/37/39
Xi
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Cyclohexene-1-carboxylic acid, methyl ester Use and Manufacturing
3-Cyclohexene-1-carboxylic acid, methyl ester: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:140.18
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:140.083729621
Monoisotopic Mass:140.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:149
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Cyclohexene-1-carboxylic acid, methyl ester
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